(2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone

C18H16FN5O — CID 90452380

IUPAC(2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1cccc(C(=O)N2CCc3c(nnn3-c3ccccn3)C2)c1F
InChIInChI=1S/C18H16FN5O/c1-12-5-4-6-13(17(12)19)18(25)23-10-8-15-14(11-23)21-22-24(15)16-7-2-3-9-20-16/h2-7,9H,8,10-11H2,1H3
InChIKeyLBKBYFUBYUDWIO-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.31
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone

(2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 90452380) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID90452380
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name(2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1cccc(C(=O)N2CCc3c(nnn3-c3ccccn3)C2)c1F
InChIInChI=1S/C18H16FN5O/c1-12-5-4-6-13(17(12)19)18(25)23-10-8-15-14(11-23)21-22-24(15)16-7-2-3-9-20-16/h2-7,9H,8,10-11H2,1H3
InChIKeyLBKBYFUBYUDWIO-UHFFFAOYSA-N
XLogP2.31
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

[2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86271307
(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86270818
(2,3-dichlorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 86271661
(2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 172817070
[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 154833021
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261
(2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 118893953
5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146038102
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115776511
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 126527265
[1,2-diamino-2-(2,3-dimethylphenyl)azaniumylideneethylidene]-[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]azanium
CID 143076958
[2-fluoro-3-(trifluoromethyl)phenyl]-[(4S)-4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90459860

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone (CID 90452380) is (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone is Cc1cccc(C(=O)N2CCc3c(nnn3-c3ccccn3)C2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is LBKBYFUBYUDWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-12-5-4-6-13(17(12)19)18(25)23-10-8-15-14(11-23)21-22-24(15)16-7-2-3-9-20-16/h2-7,9H,8,10-11H2,1H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
(2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 337.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 90452380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).