6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C29H34F3N9O2 — CID 155713867

About 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155713867) has the molecular formula C29H34F3N9O2 and a molecular weight of 597.65 g/mol. Its IUPAC name is 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
• PubChem CID: 155713867
• Molecular Formula: C29H34F3N9O2
• Molecular Weight: 597.65 g/mol
• Exact Mass: 597.28
• IUPAC Name: 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
• SMILES: CCC(C)CNC(=O)c1cc(-c2cnn([C@H](c3ccc(C(F)(F)F)nc3)C3CCN(C(C)=O)CC3)c2)cn2nc(N)nc12
• InChI: InChI=1S/C29H34F3N9O2/c1-4-17(2)12-35-27(43)23-11-21(15-41-26(23)37-28(33)38-41)22-14-36-40(16-22)25(19-7-9-39(10-8-19)18(3)42)20-5-6-24(34-13-20)29(30,31)32/h5-6,11,13-17,19,25H,4,7-10,12H2,1-3H3,(H2,33,38)(H,35,43)/t17?,25-/m0/s1
• InChIKey: FMVSEFDTJVINMH-HHPDBAQJSA-N
• XLogP: 4.21
• TPSA: 136.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.65
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The IUPAC name of 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155713867) is 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

What is the SMILES notation for 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The canonical SMILES for 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CCC(C)CNC(=O)c1cc(-c2cnn([C@H](c3ccc(C(F)(F)F)nc3)C3CCN(C(C)=O)CC3)c2)cn2nc(N)nc12.

What is the InChIKey of 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The InChIKey is FMVSEFDTJVINMH-HHPDBAQJSA-N. The full InChI is InChI=1S/C29H34F3N9O2/c1-4-17(2)12-35-27(43)23-11-21(15-41-26(23)37-28(33)38-41)22-14-36-40(16-22)25(19-7-9-39(10-8-19)18(3)42)20-5-6-24(34-13-20)29(30,31)32/h5-6,11,13-17,19,25H,4,7-10,12H2,1-3H3,(H2,33,38)(H,35,43)/t17?,25-/m0/s1.

What are the key properties of 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 597.65 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155713867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).