[2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone

C63H64N10O2 — CID 158910784

About [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone

[2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone (PubChem CID 158910784) has the molecular formula C63H64N10O2 and a molecular weight of 993.27 g/mol. Its IUPAC name is [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone
• PubChem CID: 158910784
• Molecular Formula: C63H64N10O2
• Molecular Weight: 993.27 g/mol
• Exact Mass: 992.52
• IUPAC Name: [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone
• SMILES: C#Cc1ccc(C2CCN(C(=O)c3cc(-c4nc5cc(N6CCCC6)ncc5[nH]4)c(C)cc3C)CC2)cc1.C#Cc1ccc(C2CCN(C(=O)c3cc(-c4nc5cc(N6CCCC6)ncc5[nH]4)ccc3C)CC2)cc1
• InChI: InChI=1S/C32H33N5O.C31H31N5O/c1-4-23-7-9-24(10-8-23)25-11-15-37(16-12-25)32(38)27-18-26(21(2)17-22(27)3)31-34-28-19-30(33-20-29(28)35-31)36-13-5-6-14-36;1-3-22-7-10-23(11-8-22)24-12-16-36(17-13-24)31(37)26-18-25(9-6-21(26)2)30-33-27-19-29(32-20-28(27)34-30)35-14-4-5-15-35/h1,7-10,17-20,25H,5-6,11-16H2,2-3H3,(H,34,35);1,6-11,18-20,24H,4-5,12-17H2,2H3,(H,33,34)
• InChIKey: JGPRUIUUEHUARV-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 130.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	993.27
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone?

The IUPAC name of [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone (CID 158910784) is [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone.

What is the SMILES notation for [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone?

The canonical SMILES for [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone is C#Cc1ccc(C2CCN(C(=O)c3cc(-c4nc5cc(N6CCCC6)ncc5[nH]4)c(C)cc3C)CC2)cc1.C#Cc1ccc(C2CCN(C(=O)c3cc(-c4nc5cc(N6CCCC6)ncc5[nH]4)ccc3C)CC2)cc1.

What is the InChIKey of [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone?

The InChIKey is JGPRUIUUEHUARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O.C31H31N5O/c1-4-23-7-9-24(10-8-23)25-11-15-37(16-12-25)32(38)27-18-26(21(2)17-22(27)3)31-34-28-19-30(33-20-29(28)35-31)36-13-5-6-14-36;1-3-22-7-10-23(11-8-22)24-12-16-36(17-13-24)31(37)26-18-25(9-6-21(26)2)30-33-27-19-29(32-20-28(27)34-30)35-14-4-5-15-35/h1,7-10,17-20,25H,5-6,11-16H2,2-3H3,(H,34,35);1,6-11,18-20,24H,4-5,12-17H2,2H3,(H,33,34).

What are the key properties of [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone?

[2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone has a molecular weight of 993.27 g/mol, XLogP of 11.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dimethyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone;[4-(4-ethynylphenyl)piperidin-1-yl]-[2-methyl-5-(6-pyrrolidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone is sourced from PubChem (CID 158910784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).