N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C20H13ClF2N4O — CID 53197008

IUPACN-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccn2c(-c3cc(F)cc(F)c3)nnc2c1
InChIInChI=1S/C20H13ClF2N4O/c1-11-16(21)3-2-4-17(11)24-20(28)12-5-6-27-18(9-12)25-26-19(27)13-7-14(22)10-15(23)8-13/h2-10H,1H3,(H,24,28)
InChIKeySLMNSZTVOFGBTQ-UHFFFAOYSA-N
MW398.80 g/mol
LogP4.89
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 53197008) has the molecular formula C20H13ClF2N4O and a molecular weight of 398.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID53197008
Molecular FormulaC20H13ClF2N4O
Molecular Weight398.80 g/mol
Exact Mass398.07
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccn2c(-c3cc(F)cc(F)c3)nnc2c1
InChIInChI=1S/C20H13ClF2N4O/c1-11-16(21)3-2-4-17(11)24-20(28)12-5-6-27-18(9-12)25-26-19(27)13-7-14(22)10-15(23)8-13/h2-10H,1H3,(H,24,28)
InChIKeySLMNSZTVOFGBTQ-UHFFFAOYSA-N
XLogP4.89
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.80
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577723
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CID 54927236
N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577641
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
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CID 95112957
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CID 8574861
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CID 109128462
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 53197008) is N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccn2c(-c3cc(F)cc(F)c3)nnc2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is SLMNSZTVOFGBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4O/c1-11-16(21)3-2-4-17(11)24-20(28)12-5-6-27-18(9-12)25-26-19(27)13-7-14(22)10-15(23)8-13/h2-10H,1H3,(H,24,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 398.80 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 53197008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).