N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

C25H25F3N6O3 — CID 134435352

About N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 134435352) has the molecular formula C25H25F3N6O3 and a molecular weight of 514.51 g/mol. Its IUPAC name is N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
• PubChem CID: 134435352
• Molecular Formula: C25H25F3N6O3
• Molecular Weight: 514.51 g/mol
• Exact Mass: 514.19
• IUPAC Name: N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
• SMILES: COc1cc(-c2ccc(N3CC[C@H](NC(=O)C4(C(F)(F)F)CCC4)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C25H25F3N6O3/c1-37-17-9-18(22-16(10-29)12-31-34(22)13-17)15-3-4-21(30-11-15)33-8-5-19(20(35)14-33)32-23(36)24(6-2-7-24)25(26,27)28/h3-4,9,11-13,19-20,35H,2,5-8,14H2,1H3,(H,32,36)/t19-,20-/m0/s1
• InChIKey: IDRYYWFXPPHITE-PMACEKPBSA-N
• XLogP: 3.06
• TPSA: 115.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.51
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?

The IUPAC name of N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 134435352) is N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.

What is the SMILES notation for N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?

The canonical SMILES for N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is COc1cc(-c2ccc(N3CC[C@H](NC(=O)C4(C(F)(F)F)CCC4)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?

The InChIKey is IDRYYWFXPPHITE-PMACEKPBSA-N. The full InChI is InChI=1S/C25H25F3N6O3/c1-37-17-9-18(22-16(10-29)12-31-34(22)13-17)15-3-4-21(30-11-15)33-8-5-19(20(35)14-33)32-23(36)24(6-2-7-24)25(26,27)28/h3-4,9,11-13,19-20,35H,2,5-8,14H2,1H3,(H,32,36)/t19-,20-/m0/s1.

What are the key properties of N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?

N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 514.51 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134435352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).