N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane

C24H27F6N5O — CID 142486923

About N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane

N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane (PubChem CID 142486923) has the molecular formula C24H27F6N5O and a molecular weight of 515.50 g/mol. Its IUPAC name is N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane.

Molecular Properties

• Compound Name: N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane
• PubChem CID: 142486923
• Molecular Formula: C24H27F6N5O
• Molecular Weight: 515.50 g/mol
• Exact Mass: 515.21
• IUPAC Name: N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane
• SMILES: CCC(C)(F)F.CF.O=C(Nc1ccc(F)c(-n2cc3cc(N4CC(F)(F)C4)cnc3n2)c1)C1CC1
• InChI: InChI=1S/C19H16F3N5O.C4H8F2.CH3F/c20-15-4-3-13(24-18(28)11-1-2-11)6-16(15)27-8-12-5-14(7-23-17(12)25-27)26-9-19(21,22)10-26;1-3-4(2,5)6;1-2/h3-8,11H,1-2,9-10H2,(H,24,28);3H2,1-2H3;1H3
• InChIKey: CJIPMDASUPDJRH-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.50
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane?

The IUPAC name of N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane (CID 142486923) is N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane.

What is the SMILES notation for N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane?

The canonical SMILES for N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane is CCC(C)(F)F.CF.O=C(Nc1ccc(F)c(-n2cc3cc(N4CC(F)(F)C4)cnc3n2)c1)C1CC1.

What is the InChIKey of N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane?

The InChIKey is CJIPMDASUPDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O.C4H8F2.CH3F/c20-15-4-3-13(24-18(28)11-1-2-11)6-16(15)27-8-12-5-14(7-23-17(12)25-27)26-9-19(21,22)10-26;1-3-4(2,5)6;1-2/h3-8,11H,1-2,9-10H2,(H,24,28);3H2,1-2H3;1H3.

What are the key properties of N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane?

N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane has a molecular weight of 515.50 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(3,3-difluoroazetidin-1-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide;2,2-difluorobutane;fluoromethane is sourced from PubChem (CID 142486923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).