N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C17H15FN4O — CID 50812845

IUPACN-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCC1CC1)c1cccn2c(-c3ccccc3F)nnc12
InChIInChI=1S/C17H15FN4O/c18-14-6-2-1-4-12(14)15-20-21-16-13(5-3-9-22(15)16)17(23)19-10-11-7-8-11/h1-6,9,11H,7-8,10H2,(H,19,23)
InChIKeyNLXNCUZZLJZFHP-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.68
Rot. Bonds4

About N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 50812845) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID50812845
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCC1CC1)c1cccn2c(-c3ccccc3F)nnc12
InChIInChI=1S/C17H15FN4O/c18-14-6-2-1-4-12(14)15-20-21-16-13(5-3-9-22(15)16)17(23)19-10-11-7-8-11/h1-6,9,11H,7-8,10H2,(H,19,23)
InChIKeyNLXNCUZZLJZFHP-UHFFFAOYSA-N
XLogP2.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 50812843
N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 22587537
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367491
N-(cyclopropylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 166222786
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
N-(cyclohexylmethyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803539
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
(2S)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 7989752
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367467
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 50812845) is N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is O=C(NCC1CC1)c1cccn2c(-c3ccccc3F)nnc12.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is NLXNCUZZLJZFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-14-6-2-1-4-12(14)15-20-21-16-13(5-3-9-22(15)16)17(23)19-10-11-7-8-11/h1-6,9,11H,7-8,10H2,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 50812845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).