2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C24H27F3N8O2 — CID 155232034

IUPAC2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cnn(C(CC)c3ccc(OCC(F)(F)F)nc3)c2)cn2nc(N)nc12
InChIInChI=1S/C24H27F3N8O2/c1-4-14(3)31-22(36)18-8-16(11-35-21(18)32-23(28)33-35)17-10-30-34(12-17)19(5-2)15-6-7-20(29-9-15)37-13-24(25,26)27/h6-12,14,19H,4-5,13H2,1-3H3,(H2,28,33)(H,31,36)
InChIKeyZKNDCAGPXCSTRY-UHFFFAOYSA-N
MW516.53 g/mol
LogP4.04
Rot. Bonds9

About 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155232034) has the molecular formula C24H27F3N8O2 and a molecular weight of 516.53 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID155232034
Molecular FormulaC24H27F3N8O2
Molecular Weight516.53 g/mol
Exact Mass516.22
IUPAC Name2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cnn(C(CC)c3ccc(OCC(F)(F)F)nc3)c2)cn2nc(N)nc12
InChIInChI=1S/C24H27F3N8O2/c1-4-14(3)31-22(36)18-8-16(11-35-21(18)32-23(28)33-35)17-10-30-34(12-17)19(5-2)15-6-7-20(29-9-15)37-13-24(25,26)27/h6-12,14,19H,4-5,13H2,1-3H3,(H2,28,33)(H,31,36)
InChIKeyZKNDCAGPXCSTRY-UHFFFAOYSA-N
XLogP4.04
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide with MolForge

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Related Compounds

2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155232171
2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155214187
4-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-methylpyridin-2-one
CID 155214283
2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155232382
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
6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-2-amino-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155232148
tert-butyl 3-[4-[2-amino-8-[[(2S)-butan-2-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]azetidine-1-carboxylate
CID 167418800
2-amino-N-[(2S)-butan-2-yl]-6-[5-[[(1S)-1-(4-fluorophenyl)propyl]carbamoyl]thiophen-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 163255797
2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol
CID 155214024
2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155232015
2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155231987
6-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 155213560

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155232034) is 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CCC(C)NC(=O)c1cc(-c2cnn(C(CC)c3ccc(OCC(F)(F)F)nc3)c2)cn2nc(N)nc12.
What is the InChIKey of 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is ZKNDCAGPXCSTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N8O2/c1-4-14(3)31-22(36)18-8-16(11-35-21(18)32-23(28)33-35)17-10-30-34(12-17)19(5-2)15-6-7-20(29-9-15)37-13-24(25,26)27/h6-12,14,19H,4-5,13H2,1-3H3,(H2,28,33)(H,31,36).
What are the key properties of 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 516.53 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155232034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).