2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C20H16ClF3N4O2 — CID 146072230

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCCn2c1nn(Cc1ccc(F)cc1Cl)c2=O
InChIInChI=1S/C20H16ClF3N4O2/c21-15-8-12(22)4-3-11(15)10-28-20(30)27-7-1-2-14(18(27)26-28)19(29)25-17-6-5-13(23)9-16(17)24/h3-6,8-9,14H,1-2,7,10H2,(H,25,29)
InChIKeyLCPGWARPUBDGHJ-UHFFFAOYSA-N
MW436.82 g/mol
LogP3.68
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 146072230) has the molecular formula C20H16ClF3N4O2 and a molecular weight of 436.82 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID146072230
Molecular FormulaC20H16ClF3N4O2
Molecular Weight436.82 g/mol
Exact Mass436.09
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCCn2c1nn(Cc1ccc(F)cc1Cl)c2=O
InChIInChI=1S/C20H16ClF3N4O2/c21-15-8-12(22)4-3-11(15)10-28-20(30)27-7-1-2-14(18(27)26-28)19(29)25-17-6-5-13(23)9-16(17)24/h3-6,8-9,14H,1-2,7,10H2,(H,25,29)
InChIKeyLCPGWARPUBDGHJ-UHFFFAOYSA-N
XLogP3.68
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146073590
2-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methoxypropyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072176
2-[(2-chloro-4-fluorophenyl)methyl]-8-(4-propan-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 146073577
2-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methoxypropyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072202
N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146073569
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072139
5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56759008
5-[(3R)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 95228997
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
4-bromo-3-chloro-1-methylpyrazole;(3S)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 154673470
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072133

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 146072230) is 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is O=C(Nc1ccc(F)cc1F)C1CCCn2c1nn(Cc1ccc(F)cc1Cl)c2=O.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is LCPGWARPUBDGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O2/c21-15-8-12(22)4-3-11(15)10-28-20(30)27-7-1-2-14(18(27)26-28)19(29)25-17-6-5-13(23)9-16(17)24/h3-6,8-9,14H,1-2,7,10H2,(H,25,29).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 436.82 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 146072230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).