4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide

C32H37ClN6O2 — CID 90235779

About 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide

4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 90235779) has the molecular formula C32H37ClN6O2 and a molecular weight of 573.14 g/mol. Its IUPAC name is 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 90235779
• Molecular Formula: C32H37ClN6O2
• Molecular Weight: 573.14 g/mol
• Exact Mass: 572.27
• IUPAC Name: 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C(=O)N(C)C)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C32H37ClN6O2/c1-21-9-11-22(12-10-21)19-39-30-26(36-32(39)38-13-14-41-20-28(38)23-7-5-4-6-8-23)16-27(31(40)37(2)3)35-29(30)24-15-25(33)18-34-17-24/h4-8,15-18,21-22,28H,9-14,19-20H2,1-3H3/t21?,22?,28-/m0/s1
• InChIKey: SPEKTYMVGNZTAL-HVKFLMNHSA-N
• XLogP: 6.25
• TPSA: 76.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.14
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide (CID 90235779) is 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide is CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C(=O)N(C)C)nc(-c4cncc(Cl)c4)c32)CC1.

What is the InChIKey of 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide?

The InChIKey is SPEKTYMVGNZTAL-HVKFLMNHSA-N. The full InChI is InChI=1S/C32H37ClN6O2/c1-21-9-11-22(12-10-21)19-39-30-26(36-32(39)38-13-14-41-20-28(38)23-7-5-4-6-8-23)16-27(31(40)37(2)3)35-29(30)24-15-25(33)18-34-17-24/h4-8,15-18,21-22,28H,9-14,19-20H2,1-3H3/t21?,22?,28-/m0/s1.

What are the key properties of 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide?

4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 573.14 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-3-pyridinyl)-N,N-dimethyl-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 90235779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).