1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide

C20H19FN6O — CID 42287700

IUPAC1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide
SMILESCc1nc2ccccn2c1CN(C)C(=O)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C20H19FN6O/c1-14-18(27-10-6-5-9-19(27)22-14)13-25(2)20(28)17-12-26(24-23-17)11-15-7-3-4-8-16(15)21/h3-10,12H,11,13H2,1-2H3
InChIKeyGVAAKCASOHIXDE-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.69
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide (PubChem CID 42287700) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide
PubChem CID42287700
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide
SMILESCc1nc2ccccn2c1CN(C)C(=O)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C20H19FN6O/c1-14-18(27-10-6-5-9-19(27)22-14)13-25(2)20(28)17-12-26(24-23-17)11-15-7-3-4-8-16(15)21/h3-10,12H,11,13H2,1-2H3
InChIKeyGVAAKCASOHIXDE-UHFFFAOYSA-N
XLogP2.69
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 25449687
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CID 25277558
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 42095251
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1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide
CID 56885967
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 56909120
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CID 9409269
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CID 42594224
(2-methylimidazo[1,2-a]pyridin-3-yl)methylurea
CID 139728346
2-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43763308
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide (CID 42287700) is 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide is Cc1nc2ccccn2c1CN(C)C(=O)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is GVAAKCASOHIXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-14-18(27-10-6-5-9-19(27)22-14)13-25(2)20(28)17-12-26(24-23-17)11-15-7-3-4-8-16(15)21/h3-10,12H,11,13H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 42287700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).