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

C20H17Cl2FN4O — CID 86271575

IUPAC(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC1Cc2c(nnn2-c2ccc(F)cc2)C(C)N1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H17Cl2FN4O/c1-11-10-17-19(24-25-27(17)14-8-6-13(23)7-9-14)12(2)26(11)20(28)15-4-3-5-16(21)18(15)22/h3-9,11-12H,10H2,1-2H3
InChIKeyKMURBPZFLYXUNM-UHFFFAOYSA-N
MW419.29 g/mol
LogP4.86
Rot. Bonds2

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

(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 86271575) has the molecular formula C20H17Cl2FN4O and a molecular weight of 419.29 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID86271575
Molecular FormulaC20H17Cl2FN4O
Molecular Weight419.29 g/mol
Exact Mass418.08
IUPAC Name(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC1Cc2c(nnn2-c2ccc(F)cc2)C(C)N1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H17Cl2FN4O/c1-11-10-17-19(24-25-27(17)14-8-6-13(23)7-9-14)12(2)26(11)20(28)15-4-3-5-16(21)18(15)22/h3-9,11-12H,10H2,1-2H3
InChIKeyKMURBPZFLYXUNM-UHFFFAOYSA-N
XLogP4.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-3-(trifluoromethyl)phenyl]-[(6S)-6-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90410598
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R,6S)-4,6-dimethyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90452406
5-[(2,3-dichlorophenyl)carbonyl]-1-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CID 86270818
5-{[2-chloro-3-(trifluoromethyl)phenyl]carbonyl}-1-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CID 86270910
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 86271401
[2-chloro-3-(trifluoromethyl)phenyl]-(4,6-dimethyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86271578
(2,3-dichlorophenyl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 90408542
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(4-fluorophenyl)-4,7-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90408731
(2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90408775
(2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90408904
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R,6R)-1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90409176
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90409430

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 86271575) is (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is CC1Cc2c(nnn2-c2ccc(F)cc2)C(C)N1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is KMURBPZFLYXUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN4O/c1-11-10-17-19(24-25-27(17)14-8-6-13(23)7-9-14)12(2)26(11)20(28)15-4-3-5-16(21)18(15)22/h3-9,11-12H,10H2,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 419.29 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 86271575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).