3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H15FN4O — CID 134796645

IUPAC3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2nnc(C3CC3)n2c1
InChIInChI=1S/C17H15FN4O/c18-14-6-1-11(2-7-14)9-19-17(23)13-5-8-15-20-21-16(12-3-4-12)22(15)10-13/h1-2,5-8,10,12H,3-4,9H2,(H,19,23)
InChIKeyIZUONKZGNLMMKP-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.68
Rot. Bonds4

About 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134796645) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134796645
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2nnc(C3CC3)n2c1
InChIInChI=1S/C17H15FN4O/c18-14-6-1-11(2-7-14)9-19-17(23)13-5-8-15-20-21-16(12-3-4-12)22(15)10-13/h1-2,5-8,10,12H,3-4,9H2,(H,19,23)
InChIKeyIZUONKZGNLMMKP-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

N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134802581
3-cyclopropyl-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134797761
3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800490
3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 155960972
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798846
N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075507
N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134803137
N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide
CID 134161068
3-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 69006617
2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 154854058
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140078
N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075471

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134796645) is 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc2nnc(C3CC3)n2c1.
What is the InChIKey of 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is IZUONKZGNLMMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-14-6-1-11(2-7-14)9-19-17(23)13-5-8-15-20-21-16(12-3-4-12)22(15)10-13/h1-2,5-8,10,12H,3-4,9H2,(H,19,23).
What are the key properties of 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-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 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134796645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).