[2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

C59H52Cl5F4N15O3 — CID 90409316

About [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

[2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 90409316) has the molecular formula C59H52Cl5F4N15O3 and a molecular weight of 1272.42 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 90409316
• Molecular Formula: C59H52Cl5F4N15O3
• Molecular Weight: 1272.42 g/mol
• Exact Mass: 1269.28
• IUPAC Name: [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
• SMILES: CC1Cc2c(nnn2-c2ncccc2F)CN1C(=O)c1cccc(Cl)c1Cl.Cc1cnc(-n2nnc3c2CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)C3C)c(C)c1.Cc1cnc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)C3C)c(C)c1
• InChI: InChI=1S/C21H19ClF3N5O.C20H19Cl2N5O.C18H14Cl2FN5O/c1-11-9-12(2)19(26-10-11)30-16-7-8-29(13(3)18(16)27-28-30)20(31)14-5-4-6-15(17(14)22)21(23,24)25;1-11-9-12(2)19(23-10-11)27-16-7-8-26(13(3)18(16)24-25-27)20(28)14-5-4-6-15(21)17(14)22;1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h4-6,9-10,13H,7-8H2,1-3H3;4-6,9-10,13H,7-8H2,1-3H3;2-7,10H,8-9H2,1H3
• InChIKey: JYFVIGPQMWXAJV-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 191.73 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.42
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?

The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 90409316) is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is CC1Cc2c(nnn2-c2ncccc2F)CN1C(=O)c1cccc(Cl)c1Cl.Cc1cnc(-n2nnc3c2CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)C3C)c(C)c1.Cc1cnc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)C3C)c(C)c1.

What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is JYFVIGPQMWXAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N5O.C20H19Cl2N5O.C18H14Cl2FN5O/c1-11-9-12(2)19(26-10-11)30-16-7-8-29(13(3)18(16)27-28-30)20(31)14-5-4-6-15(17(14)22)21(23,24)25;1-11-9-12(2)19(23-10-11)27-16-7-8-26(13(3)18(16)24-25-27)20(28)14-5-4-6-15(21)17(14)22;1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h4-6,9-10,13H,7-8H2,1-3H3;4-6,9-10,13H,7-8H2,1-3H3;2-7,10H,8-9H2,1H3.

What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?

[2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 1272.42 g/mol, XLogP of 12.75, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3,5-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;(2,3-dichlorophenyl)-[1-(3-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 90409316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).