2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine

C29H33F2N9O — CID 163273488

About 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine

2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 163273488) has the molecular formula C29H33F2N9O and a molecular weight of 561.64 g/mol. Its IUPAC name is 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine
• PubChem CID: 163273488
• Molecular Formula: C29H33F2N9O
• Molecular Weight: 561.64 g/mol
• Exact Mass: 561.28
• IUPAC Name: 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine
• SMILES: COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCN(C)CC(F)(F)C4)n3C)c(C(C)C)n2)c(C)n1
• InChI: InChI=1S/C29H33F2N9O/c1-17(2)26-27-23(38(5)28(36-27)39-10-9-37(4)15-29(30,31)16-39)12-25(35-26)40-22-11-21(34-18(3)19(22)14-33-40)20-13-32-8-7-24(20)41-6/h7-8,11-14,17H,9-10,15-16H2,1-6H3
• InChIKey: NQAUFGIBRYORBY-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 90.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.64
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine?

The IUPAC name of 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine (CID 163273488) is 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine.

What is the SMILES notation for 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine?

The canonical SMILES for 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine is COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCN(C)CC(F)(F)C4)n3C)c(C(C)C)n2)c(C)n1.

What is the InChIKey of 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine?

The InChIKey is NQAUFGIBRYORBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N9O/c1-17(2)26-27-23(38(5)28(36-27)39-10-9-37(4)15-29(30,31)16-39)12-25(35-26)40-22-11-21(34-18(3)19(22)14-33-40)20-13-32-8-7-24(20)41-6/h7-8,11-14,17H,9-10,15-16H2,1-6H3.

What are the key properties of 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine?

2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 561.64 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 163273488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).