N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide

C32H34F3N7O2 — CID 134434860

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 134434860) has the molecular formula C32H34F3N7O2 and a molecular weight of 605.67 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide
• PubChem CID: 134434860
• Molecular Formula: C32H34F3N7O2
• Molecular Weight: 605.67 g/mol
• Exact Mass: 605.27
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN(C)CC(F)F)(NC(=O)c4cc(F)ccc4C)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C32H34F3N7O2/c1-4-44-25-14-27(30-23(15-36)17-38-42(30)18-25)22-6-8-29(37-16-22)41-11-9-32(10-12-41,20-40(3)19-28(34)35)39-31(43)26-13-24(33)7-5-21(26)2/h5-8,13-14,16-18,28H,4,9-12,19-20H2,1-3H3,(H,39,43)
• InChIKey: KWNXBYBLBNNWDA-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 98.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.67
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide?

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide (CID 134434860) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide.

What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide?

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide is CCOc1cc(-c2ccc(N3CCC(CN(C)CC(F)F)(NC(=O)c4cc(F)ccc4C)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide?

The InChIKey is KWNXBYBLBNNWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N7O2/c1-4-44-25-14-27(30-23(15-36)17-38-42(30)18-25)22-6-8-29(37-16-22)41-11-9-32(10-12-41,20-40(3)19-28(34)35)39-31(43)26-13-24(33)7-5-21(26)2/h5-8,13-14,16-18,28H,4,9-12,19-20H2,1-3H3,(H,39,43).

What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 605.67 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[2,2-difluoroethyl(methyl)amino]methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 134434860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).