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

C37H31ClF6N10O2 — CID 134537923

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

[2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone (PubChem CID 134537923) has the molecular formula C37H31ClF6N10O2 and a molecular weight of 797.16 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

• Compound Name: [2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
• PubChem CID: 134537923
• Molecular Formula: C37H31ClF6N10O2
• Molecular Weight: 797.16 g/mol
• Exact Mass: 796.22
• IUPAC Name: [2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
• SMILES: Cc1c(C(=O)N2Cc3nnn(-c4ccn[nH]4)c3CC2C)cccc1C(F)(F)F.O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccccn2)C1
• InChI: InChI=1S/C19H14ClF3N4O.C18H17F3N6O/c20-17-12(4-3-5-13(17)19(21,22)23)18(28)26-9-7-15-14(10-26)25-11-27(15)16-6-1-2-8-24-16;1-10-8-15-14(23-25-27(15)16-6-7-22-24-16)9-26(10)17(28)12-4-3-5-13(11(12)2)18(19,20)21/h1-6,8,11H,7,9-10H2;3-7,10H,8-9H2,1-2H3,(H,22,24)
• InChIKey: QQKXIJXEBYHEPU-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 130.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.16
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone (CID 134537923) is [2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone.

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

The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone is Cc1c(C(=O)N2Cc3nnn(-c4ccn[nH]4)c3CC2C)cccc1C(F)(F)F.O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccccn2)C1.

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

The InChIKey is QQKXIJXEBYHEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O.C18H17F3N6O/c20-17-12(4-3-5-13(17)19(21,22)23)18(28)26-9-7-15-14(10-26)25-11-27(15)16-6-1-2-8-24-16;1-10-8-15-14(23-25-27(15)16-6-7-22-24-16)9-26(10)17(28)12-4-3-5-13(11(12)2)18(19,20)21/h1-6,8,11H,7,9-10H2;3-7,10H,8-9H2,1-2H3,(H,22,24).

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

[2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 797.16 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134537923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).