[1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone

C22H18FN5O2 — CID 122221600

IUPAC[1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone
SMILESCOc1ccc(Nc2ncccc2C(=O)c2cn(Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C22H18FN5O2/c1-30-18-10-8-17(9-11-18)25-22-19(3-2-12-24-22)21(29)20-14-28(27-26-20)13-15-4-6-16(23)7-5-15/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyHMUFHIRZLHCQKB-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.84
Rot. Bonds7

About [1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone

[1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone (PubChem CID 122221600) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone
PubChem CID122221600
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name[1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone
SMILESCOc1ccc(Nc2ncccc2C(=O)c2cn(Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C22H18FN5O2/c1-30-18-10-8-17(9-11-18)25-22-19(3-2-12-24-22)21(29)20-14-28(27-26-20)13-15-4-6-16(23)7-5-15/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyHMUFHIRZLHCQKB-UHFFFAOYSA-N
XLogP3.84
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluoroanilino)-N-[[1-[(3-methoxy-5-methylphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 118148774
4-(4-fluorophenyl)-1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]butane-1,3-dione
CID 67092289
N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 155809822
N-[2-(3,5-dimethoxyanilino)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 155814751
2-(4-methoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 90681001
2-[(3-chloro-4-fluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid
CID 110165495
2-[(4-chlorophenyl)methylamino]-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 118148766
1-[(4-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 53333432
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
1-[(4-fluorophenyl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
CID 42199626
(E)-N-[2-(4-fluoroanilino)-3-pyridinyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 155816048
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 54612749

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone?
The IUPAC name of [1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone (CID 122221600) is [1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone is COc1ccc(Nc2ncccc2C(=O)c2cn(Cc3ccc(F)cc3)nn2)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone?
The InChIKey is HMUFHIRZLHCQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-30-18-10-8-17(9-11-18)25-22-19(3-2-12-24-22)21(29)20-14-28(27-26-20)13-15-4-6-16(23)7-5-15/h2-12,14H,13H2,1H3,(H,24,25).
What are the key properties of [1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone?
[1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone has a molecular weight of 403.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 122221600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).