N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C17H17FN4O — CID 95112957

IUPACN-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccn2c(-c3ccc(F)cc3)nnc2c1
InChIInChI=1S/C17H17FN4O/c1-3-11(2)19-17(23)13-8-9-22-15(10-13)20-21-16(22)12-4-6-14(18)7-5-12/h4-11H,3H2,1-2H3,(H,19,23)/t11-/m1/s1
InChIKeyUNKZOSQAZOELKN-LLVKDONJSA-N
MW312.35 g/mol
LogP3.06
Rot. Bonds4

About N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 95112957) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID95112957
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccn2c(-c3ccc(F)cc3)nnc2c1
InChIInChI=1S/C17H17FN4O/c1-3-11(2)19-17(23)13-8-9-22-15(10-13)20-21-16(22)12-4-6-14(18)7-5-12/h4-11H,3H2,1-2H3,(H,19,23)/t11-/m1/s1
InChIKeyUNKZOSQAZOELKN-LLVKDONJSA-N
XLogP3.06
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide with MolForge

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Related Compounds

N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53196955
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523757
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
N-butan-2-yl-4-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 24718333
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197060
N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552
N-butan-2-yl-3-(4-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757498
4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 109044182
N-[(2S)-butan-2-yl]-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 95092870
N-butan-2-yl-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 53135645

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 95112957) is N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is CC[C@@H](C)NC(=O)c1ccn2c(-c3ccc(F)cc3)nnc2c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is UNKZOSQAZOELKN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-3-11(2)19-17(23)13-8-9-22-15(10-13)20-21-16(22)12-4-6-14(18)7-5-12/h4-11H,3H2,1-2H3,(H,19,23)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 95112957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).