N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide

C24H25ClN6O3S — CID 177323261

About N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide

N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide (PubChem CID 177323261) has the molecular formula C24H25ClN6O3S and a molecular weight of 513.02 g/mol. Its IUPAC name is N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide
• PubChem CID: 177323261
• Molecular Formula: C24H25ClN6O3S
• Molecular Weight: 513.02 g/mol
• Exact Mass: 512.14
• IUPAC Name: N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide
• SMILES: Cc1c(S(=O)(=O)N2CCn3c(cnc3C)C2)cc(C(=O)NCc2c(Cl)ccc3ncccc23)n1C
• InChI: InChI=1S/C24H25ClN6O3S/c1-15-23(35(33,34)30-9-10-31-16(2)27-12-17(31)14-30)11-22(29(15)3)24(32)28-13-19-18-5-4-8-26-21(18)7-6-20(19)25/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,28,32)
• InChIKey: WIZKLTGIBPUCGG-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 102.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.02
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide?

The IUPAC name of N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide (CID 177323261) is N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide.

What is the SMILES notation for N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide?

The canonical SMILES for N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide is Cc1c(S(=O)(=O)N2CCn3c(cnc3C)C2)cc(C(=O)NCc2c(Cl)ccc3ncccc23)n1C.

What is the InChIKey of N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide?

The InChIKey is WIZKLTGIBPUCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3S/c1-15-23(35(33,34)30-9-10-31-16(2)27-12-17(31)14-30)11-22(29(15)3)24(32)28-13-19-18-5-4-8-26-21(18)7-6-20(19)25/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,28,32).

What are the key properties of N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide?

N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide has a molecular weight of 513.02 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide is sourced from PubChem (CID 177323261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).