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

C19H15Cl2FN4O — CID 90408850

IUPAC(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C19H15Cl2FN4O/c1-11-9-25(19(27)14-3-2-4-15(20)17(14)21)10-16-18(11)26(24-23-16)13-7-5-12(22)6-8-13/h2-8,11H,9-10H2,1H3
InChIKeyGKKRKEQHTAFIPC-UHFFFAOYSA-N
MW405.26 g/mol
LogP4.47
Rot. Bonds2

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

(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 90408850) has the molecular formula C19H15Cl2FN4O and a molecular weight of 405.26 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID90408850
Molecular FormulaC19H15Cl2FN4O
Molecular Weight405.26 g/mol
Exact Mass404.06
IUPAC Name(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C19H15Cl2FN4O/c1-11-9-25(19(27)14-3-2-4-15(20)17(14)21)10-16-18(11)26(24-23-16)13-7-5-12(22)6-8-13/h2-8,11H,9-10H2,1H3
InChIKeyGKKRKEQHTAFIPC-UHFFFAOYSA-N
XLogP4.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 90408850) is (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is CC1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnn(-c3ccc(F)cc3)c21.
What is the InChIKey of (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is GKKRKEQHTAFIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN4O/c1-11-9-25(19(27)14-3-2-4-15(20)17(14)21)10-16-18(11)26(24-23-16)13-7-5-12(22)6-8-13/h2-8,11H,9-10H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 405.26 g/mol, XLogP of 4.47, 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)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 90408850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).