3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

C26H24F2N4O — CID 162773967

About 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 162773967) has the molecular formula C26H24F2N4O and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
• PubChem CID: 162773967
• Molecular Formula: C26H24F2N4O
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.19
• IUPAC Name: 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
• SMILES: Cc1nn2c(C(C)C)c(C(=O)NC3CCc4cccnc43)ccc2c1-c1c(F)cccc1F
• InChI: InChI=1S/C26H24F2N4O/c1-14(2)25-17(26(33)30-20-11-9-16-6-5-13-29-24(16)20)10-12-21-22(15(3)31-32(21)25)23-18(27)7-4-8-19(23)28/h4-8,10,12-14,20H,9,11H2,1-3H3,(H,30,33)
• InChIKey: FAWJWOJZRODLLO-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The IUPAC name of 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 162773967) is 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The canonical SMILES for 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is Cc1nn2c(C(C)C)c(C(=O)NC3CCc4cccnc43)ccc2c1-c1c(F)cccc1F.

What is the InChIKey of 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The InChIKey is FAWJWOJZRODLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O/c1-14(2)25-17(26(33)30-20-11-9-16-6-5-13-29-24(16)20)10-12-21-22(15(3)31-32(21)25)23-18(27)7-4-8-19(23)28/h4-8,10,12-14,20H,9,11H2,1-3H3,(H,30,33).

What are the key properties of 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 162773967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).