(3E)-N-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3H)-carboxamide (Q27463441)

(3E)-N-(2,6-Diethylphenyl)-3-{[4-(4-methyl-1-piperazinyl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3H)-carboxamide (English)

19 October 2016

chemical formula

C₂₈H₃₁N₇O₂

1 reference

stated in

RCSB protein data bank

PDB ligand ID

MPY

16 February 2021

canonical SMILES

CCC1=CC=CC(=C1NC(=O)N2C=C3C(=C2)N=NC3=NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C)CC

1 reference

(3E)-N-(2,6-Diethylphenyl)-3-{[4-(4-methyl-1-piperazinyl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3H)-carboxamide (English)

19 October 2016

isomeric SMILES

CCC1=CC=CC(=C1NC(=O)N2C=C\3C(=C2)N=N/C3=N/C(=O)C4=CC=C(C=C4)N5CCN(CC5)C)CC

1 reference

(3E)-N-(2,6-Diethylphenyl)-3-{[4-(4-methyl-1-piperazinyl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3H)-carboxamide (English)

InChI=1S/C28H31N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,37)/b30-26+

19 October 2016

Identifiers

InChI

1 reference

(3E)-N-(2,6-Diethylphenyl)-3-{[4-(4-methyl-1-piperazinyl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3H)-carboxamide (English)

WUWKQGPEIAHGLN-URGPHPNLSA-N

19 October 2016

InChIKey

1 reference

(3E)-N-(2,6-Diethylphenyl)-3-{[4-(4-methyl-1-piperazinyl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3H)-carboxamide (English)

19 October 2016

1 reference

(3E)-N-(2,6-Diethylphenyl)-3-{[4-(4-methyl-1-piperazinyl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3H)-carboxamide (English)

19 October 2016

0 references

1 reference

2BMC (English)