2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide

C19H17F3N4O — CID 142487091

About 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide

2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 142487091) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 142487091
• Molecular Formula: C19H17F3N4O
• Molecular Weight: 374.37 g/mol
• Exact Mass: 374.14
• IUPAC Name: 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide
• SMILES: CC(C)c1cnc2nn(-c3cc(NC(=O)C4CC4(F)F)ccc3F)cc2c1
• InChI: InChI=1S/C19H17F3N4O/c1-10(2)11-5-12-9-26(25-17(12)23-8-11)16-6-13(3-4-15(16)20)24-18(27)14-7-19(14,21)22/h3-6,8-10,14H,7H2,1-2H3,(H,24,27)
• InChIKey: IPUQMIOLOFGHRH-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.37
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide (CID 142487091) is 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide is CC(C)c1cnc2nn(-c3cc(NC(=O)C4CC4(F)F)ccc3F)cc2c1.

What is the InChIKey of 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is IPUQMIOLOFGHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-10(2)11-5-12-9-26(25-17(12)23-8-11)16-6-13(3-4-15(16)20)24-18(27)14-7-19(14,21)22/h3-6,8-10,14H,7H2,1-2H3,(H,24,27).

What are the key properties of 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide?

2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142487091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).