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

C25H27FN6O2S — CID 163255797

IUPAC2-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
SMILESCC[C@H](NC(=O)c1cc(-c2cc(C(=O)N[C@@H](C)CC)c3nc(N)nn3c2)cs1)c1ccc(F)cc1
InChIInChI=1S/C25H27FN6O2S/c1-4-14(3)28-23(33)19-10-16(12-32-22(19)30-25(27)31-32)17-11-21(35-13-17)24(34)29-20(5-2)15-6-8-18(26)9-7-15/h6-14,20H,4-5H2,1-3H3,(H2,27,31)(H,28,33)(H,29,34)/t14-,20-/m0/s1
InChIKeyYGSNUGAPYIPPAS-XOBRGWDASA-N
MW494.60 g/mol
LogP4.59
Rot. Bonds8

About 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

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 (PubChem CID 163255797) has the molecular formula C25H27FN6O2S and a molecular weight of 494.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID163255797
Molecular FormulaC25H27FN6O2S
Molecular Weight494.60 g/mol
Exact Mass494.19
IUPAC Name2-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
SMILESCC[C@H](NC(=O)c1cc(-c2cc(C(=O)N[C@@H](C)CC)c3nc(N)nn3c2)cs1)c1ccc(F)cc1
InChIInChI=1S/C25H27FN6O2S/c1-4-14(3)28-23(33)19-10-16(12-32-22(19)30-25(27)31-32)17-11-21(35-13-17)24(34)29-20(5-2)15-6-8-18(26)9-7-15/h6-14,20H,4-5H2,1-3H3,(H2,27,31)(H,28,33)(H,29,34)/t14-,20-/m0/s1
InChIKeyYGSNUGAPYIPPAS-XOBRGWDASA-N
XLogP4.59
TPSA114.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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-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
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
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
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-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155231987
5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide
CID 51498385
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
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-chloro-N-[(1S)-1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H](NC(=O)c1cc(-c2cc(C(=O)N[C@@H](C)CC)c3nc(N)nn3c2)cs1)c1ccc(F)cc1.
What is the InChIKey of 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?
The InChIKey is YGSNUGAPYIPPAS-XOBRGWDASA-N. The full InChI is InChI=1S/C25H27FN6O2S/c1-4-14(3)28-23(33)19-10-16(12-32-22(19)30-25(27)31-32)17-11-21(35-13-17)24(34)29-20(5-2)15-6-8-18(26)9-7-15/h6-14,20H,4-5H2,1-3H3,(H2,27,31)(H,28,33)(H,29,34)/t14-,20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 494.60 g/mol, XLogP of 4.59, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163255797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).