[4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone

C29H27F2N7O2 — CID 163273406

About [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone

[4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 163273406) has the molecular formula C29H27F2N7O2 and a molecular weight of 543.58 g/mol. Its IUPAC name is [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
• PubChem CID: 163273406
• Molecular Formula: C29H27F2N7O2
• Molecular Weight: 543.58 g/mol
• Exact Mass: 543.22
• IUPAC Name: [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
• SMILES: COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(C4CC4)n2)c(C)c(C(=O)N2CC(F)(F)C2)n3C)c(C)n1
• InChI: InChI=1S/C29H27F2N7O2/c1-15-25-22(36(3)27(15)28(39)37-13-29(30,31)14-37)10-24(35-26(25)17-5-6-17)38-21-9-20(34-16(2)18(21)12-33-38)19-11-32-8-7-23(19)40-4/h7-12,17H,5-6,13-14H2,1-4H3
• InChIKey: GJAVWPXXUMTIOR-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 90.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.58
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone?

The IUPAC name of [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone (CID 163273406) is [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone.

What is the SMILES notation for [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone?

The canonical SMILES for [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone is COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(C4CC4)n2)c(C)c(C(=O)N2CC(F)(F)C2)n3C)c(C)n1.

What is the InChIKey of [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone?

The InChIKey is GJAVWPXXUMTIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N7O2/c1-15-25-22(36(3)27(15)28(39)37-13-29(30,31)14-37)10-24(35-26(25)17-5-6-17)38-21-9-20(34-16(2)18(21)12-33-38)19-11-32-8-7-23(19)40-4/h7-12,17H,5-6,13-14H2,1-4H3.

What are the key properties of [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone?

[4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 543.58 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 163273406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).