N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide

C29H32FN7OS — CID 175632294

About N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide

N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide (PubChem CID 175632294) has the molecular formula C29H32FN7OS and a molecular weight of 545.69 g/mol. Its IUPAC name is N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide
• PubChem CID: 175632294
• Molecular Formula: C29H32FN7OS
• Molecular Weight: 545.69 g/mol
• Exact Mass: 545.24
• IUPAC Name: N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide
• SMILES: CC(=O)N(C)CCC1(C)CCC(n2ncc(-c3cc(Sc4ncccc4F)c4c(C#N)cnn4c3)c2C)CC1
• InChI: InChI=1S/C29H32FN7OS/c1-19-24(17-34-37(19)23-7-9-29(3,10-8-23)11-13-35(4)20(2)38)21-14-26(39-28-25(30)6-5-12-32-28)27-22(15-31)16-33-36(27)18-21/h5-6,12,14,16-18,23H,7-11,13H2,1-4H3
• InChIKey: QVCAPXCJZOHBQR-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 92.11 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.69
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide?

The IUPAC name of N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide (CID 175632294) is N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide.

What is the SMILES notation for N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide?

The canonical SMILES for N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide is CC(=O)N(C)CCC1(C)CCC(n2ncc(-c3cc(Sc4ncccc4F)c4c(C#N)cnn4c3)c2C)CC1.

What is the InChIKey of N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide?

The InChIKey is QVCAPXCJZOHBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7OS/c1-19-24(17-34-37(19)23-7-9-29(3,10-8-23)11-13-35(4)20(2)38)21-14-26(39-28-25(30)6-5-12-32-28)27-22(15-31)16-33-36(27)18-21/h5-6,12,14,16-18,23H,7-11,13H2,1-4H3.

What are the key properties of N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide?

N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide has a molecular weight of 545.69 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide is sourced from PubChem (CID 175632294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).