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

C21H28N8O2 — CID 155232148

IUPAC6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-2-amino-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cnn(C3CCN(C(C)=O)CC3)c2)cn2nc(N)nc12
InChIInChI=1S/C21H28N8O2/c1-4-13(2)24-20(31)18-9-15(11-29-19(18)25-21(22)26-29)16-10-23-28(12-16)17-5-7-27(8-6-17)14(3)30/h9-13,17H,4-8H2,1-3H3,(H2,22,26)(H,24,31)
InChIKeyJUKOMNDOPNGGEU-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.89
Rot. Bonds5

About 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

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 (PubChem CID 155232148) has the molecular formula C21H28N8O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-2-amino-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID155232148
Molecular FormulaC21H28N8O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-2-amino-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cnn(C3CCN(C(C)=O)CC3)c2)cn2nc(N)nc12
InChIInChI=1S/C21H28N8O2/c1-4-13(2)24-20(31)18-9-15(11-29-19(18)25-21(22)26-29)16-10-23-28(12-16)17-5-7-27(8-6-17)14(3)30/h9-13,17H,4-8H2,1-3H3,(H2,22,26)(H,24,31)
InChIKeyJUKOMNDOPNGGEU-UHFFFAOYSA-N
XLogP1.89
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-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-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
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
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
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
1-[4-[4-(2-chloropyrimidin-5-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 178082262
2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155231987
1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166637826
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)NC(=O)c1cc(-c2cnn(C3CCN(C(C)=O)CC3)c2)cn2nc(N)nc12.
What is the InChIKey of 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?
The InChIKey is JUKOMNDOPNGGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2/c1-4-13(2)24-20(31)18-9-15(11-29-19(18)25-21(22)26-29)16-10-23-28(12-16)17-5-7-27(8-6-17)14(3)30/h9-13,17H,4-8H2,1-3H3,(H2,22,26)(H,24,31).
What are the key properties of 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?
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 has a molecular weight of 424.51 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155232148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).