4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine

C28H30F2N10O — CID 163273785

About 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine

4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine (PubChem CID 163273785) has the molecular formula C28H30F2N10O and a molecular weight of 560.61 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine
• PubChem CID: 163273785
• Molecular Formula: C28H30F2N10O
• Molecular Weight: 560.61 g/mol
• Exact Mass: 560.26
• IUPAC Name: 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine
• SMILES: COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCN(C)CC4)n3C)c(N3CC(F)(F)C3)n2)c(C)n1
• InChI: InChI=1S/C28H30F2N10O/c1-17-18-14-32-40(21(18)11-20(33-17)19-13-31-6-5-23(19)41-4)24-12-22-25(26(34-24)39-15-28(29,30)16-39)35-27(37(22)3)38-9-7-36(2)8-10-38/h5-6,11-14H,7-10,15-16H2,1-4H3
• InChIKey: HCQREFHHWXJNSE-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 93.26 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.61
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine?

The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine (CID 163273785) is 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine.

What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine?

The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine is COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCN(C)CC4)n3C)c(N3CC(F)(F)C3)n2)c(C)n1.

What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine?

The InChIKey is HCQREFHHWXJNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N10O/c1-17-18-14-32-40(21(18)11-20(33-17)19-13-31-6-5-23(19)41-4)24-12-22-25(26(34-24)39-15-28(29,30)16-39)35-27(37(22)3)38-9-7-36(2)8-10-38/h5-6,11-14H,7-10,15-16H2,1-4H3.

What are the key properties of 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine?

4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine has a molecular weight of 560.61 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,3-difluoroazetidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 163273785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).