5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

C18H14F4N6O2 — CID 153384508

IUPAC5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C18H14F4N6O2/c1-30-16-11(7-10(19)8-23-16)15(29)26-13-4-2-3-12(25-13)14-27-24-9-28(14)17(5-6-17)18(20,21)22/h2-4,7-9H,5-6H2,1H3,(H,25,26,29)
InChIKeyFVJZOFABGQABCK-UHFFFAOYSA-N
MW422.34 g/mol
LogP3.19
Rot. Bonds5

About 5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 153384508) has the molecular formula C18H14F4N6O2 and a molecular weight of 422.34 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID153384508
Molecular FormulaC18H14F4N6O2
Molecular Weight422.34 g/mol
Exact Mass422.11
IUPAC Name5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C18H14F4N6O2/c1-30-16-11(7-10(19)8-23-16)15(29)26-13-4-2-3-12(25-13)14-27-24-9-28(14)17(5-6-17)18(20,21)22/h2-4,7-9H,5-6H2,1H3,(H,25,26,29)
InChIKeyFVJZOFABGQABCK-UHFFFAOYSA-N
XLogP3.19
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-2-methoxy-N-[6-[(5R)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 175383646
5-chloro-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;5-chloro-2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 159133483
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146381524
3-methoxy-1-(2,2,2-trifluoroethyl)-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381743
3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide
CID 164899747
2-hydroxy-5-methoxy-N-[6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 138458852
N-[6-[4-[(2S)-1,1-difluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381600
1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146382061
3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381583
3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 146393281
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 146411808

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 153384508) is 5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is COc1ncc(F)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is FVJZOFABGQABCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N6O2/c1-30-16-11(7-10(19)8-23-16)15(29)26-13-4-2-3-12(25-13)14-27-24-9-28(14)17(5-6-17)18(20,21)22/h2-4,7-9H,5-6H2,1H3,(H,25,26,29).
What are the key properties of 5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 422.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 153384508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).