6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H28FN7O — CID 37178898

About 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 37178898) has the molecular formula C26H28FN7O and a molecular weight of 473.56 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 37178898
• Molecular Formula: C26H28FN7O
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.23
• IUPAC Name: 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)Nc3ccc(F)c(-c4nnc5n4CCCCC5)c3)cc(C3CC3)nc21
• InChI: InChI=1S/C26H28FN7O/c1-15(2)34-24-20(14-28-34)18(13-22(30-24)16-7-8-16)26(35)29-17-9-10-21(27)19(12-17)25-32-31-23-6-4-3-5-11-33(23)25/h9-10,12-16H,3-8,11H2,1-2H3,(H,29,35)
• InChIKey: WRNUVZUYGCZBLQ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 37178898) is 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccc(F)c(-c4nnc5n4CCCCC5)c3)cc(C3CC3)nc21.

What is the InChIKey of 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is WRNUVZUYGCZBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O/c1-15(2)34-24-20(14-28-34)18(13-22(30-24)16-7-8-16)26(35)29-17-9-10-21(27)19(12-17)25-32-31-23-6-4-3-5-11-33(23)25/h9-10,12-16H,3-8,11H2,1-2H3,(H,29,35).

What are the key properties of 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 37178898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).