N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide

C16H18ClFN4O — CID 110455778

IUPACN-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2n(n1)CCC(c1ccc(F)c(Cl)c1)C2
InChIInChI=1S/C16H18ClFN4O/c1-9(2)15(23)20-16-19-14-8-11(5-6-22(14)21-16)10-3-4-13(18)12(17)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,20,21,23)
InChIKeyYKDRCLLDCYJAOR-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.40
Rot. Bonds3

About N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide

N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide (PubChem CID 110455778) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide
PubChem CID110455778
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC NameN-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2n(n1)CCC(c1ccc(F)c(Cl)c1)C2
InChIInChI=1S/C16H18ClFN4O/c1-9(2)15(23)20-16-19-14-8-11(5-6-22(14)21-16)10-3-4-13(18)12(17)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,20,21,23)
InChIKeyYKDRCLLDCYJAOR-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 110455765
(2S)-2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 95330628
4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid
CID 82557107
N-(2-fluoro-5-piperidin-4-ylphenyl)-2-methylpropanamide
CID 18446856
N-[(7R)-5,7-bis(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
CID 136721594
2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene
CID 142422134
4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 81156956
3-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359970
4-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 81157096
N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048772
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one
CID 125498696

Frequently Asked Questions

What is the IUPAC name of N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide (CID 110455778) is N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc2n(n1)CCC(c1ccc(F)c(Cl)c1)C2.
What is the InChIKey of N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?
The InChIKey is YKDRCLLDCYJAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c1-9(2)15(23)20-16-19-14-8-11(5-6-22(14)21-16)10-3-4-13(18)12(17)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,20,21,23).
What are the key properties of N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?
N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide has a molecular weight of 336.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 110455778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).