N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide

C25H31N5O2 — CID 78150128

About N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide

N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide (PubChem CID 78150128) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide
• PubChem CID: 78150128
• Molecular Formula: C25H31N5O2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.25
• IUPAC Name: N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide
• SMILES: COc1ccc2[nH]c(CC3CC(C(C)C)C(CNC(=O)c4ccncc4)C=C3C)nc2n1
• InChI: InChI=1S/C25H31N5O2/c1-15(2)20-12-18(13-22-28-21-5-6-23(32-4)30-24(21)29-22)16(3)11-19(20)14-27-25(31)17-7-9-26-10-8-17/h5-11,15,18-20H,12-14H2,1-4H3,(H,27,31)(H,28,29,30)
• InChIKey: KOFAJNCEGANBRE-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide?

The IUPAC name of N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide (CID 78150128) is N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide?

The canonical SMILES for N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide is COc1ccc2[nH]c(CC3CC(C(C)C)C(CNC(=O)c4ccncc4)C=C3C)nc2n1.

What is the InChIKey of N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide?

The InChIKey is KOFAJNCEGANBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-15(2)20-12-18(13-22-28-21-5-6-23(32-4)30-24(21)29-22)16(3)11-19(20)14-27-25(31)17-7-9-26-10-8-17/h5-11,15,18-20H,12-14H2,1-4H3,(H,27,31)(H,28,29,30).

What are the key properties of N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide?

N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 78150128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).