N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H22F2N6O2 — CID 24608902

About N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24608902) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24608902
• Molecular Formula: C24H22F2N6O2
• Molecular Weight: 464.48 g/mol
• Exact Mass: 464.18
• IUPAC Name: N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)c1nc2ccccc2n1C(F)F
• InChI: InChI=1S/C24H22F2N6O2/c1-13(2)32-22-16(12-27-32)15(11-18(30-22)20-9-6-10-34-20)23(33)28-14(3)21-29-17-7-4-5-8-19(17)31(21)24(25)26/h4-14,24H,1-3H3,(H,28,33)
• InChIKey: YRCKMXMWUCSQJH-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 90.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.48
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24608902) is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)c1nc2ccccc2n1C(F)F.

What is the InChIKey of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is YRCKMXMWUCSQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-13(2)32-22-16(12-27-32)15(11-18(30-22)20-9-6-10-34-20)23(33)28-14(3)21-29-17-7-4-5-8-19(17)31(21)24(25)26/h4-14,24H,1-3H3,(H,28,33).

What are the key properties of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24608902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).