[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate

C23H22Cl2F3N5O3 — CID 67411186

About [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate

[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 67411186) has the molecular formula C23H22Cl2F3N5O3 and a molecular weight of 544.36 g/mol. Its IUPAC name is [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate
• PubChem CID: 67411186
• Molecular Formula: C23H22Cl2F3N5O3
• Molecular Weight: 544.36 g/mol
• Exact Mass: 543.11
• IUPAC Name: [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate
• SMILES: COc1nc(-c2ccccc2Cl)cc2c1NC(c1c(Cl)c(C(C)(C)C)nn1C)N2OC(=O)C(F)(F)F
• InChI: InChI=1S/C23H22Cl2F3N5O3/c1-22(2,3)18-15(25)17(32(4)31-18)19-30-16-14(33(19)36-21(34)23(26,27)28)10-13(29-20(16)35-5)11-8-6-7-9-12(11)24/h6-10,19,30H,1-5H3
• InChIKey: KFGBZIYIDFAHKR-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.36
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate?

The IUPAC name of [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate (CID 67411186) is [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate.

What is the SMILES notation for [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate?

The canonical SMILES for [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate is COc1nc(-c2ccccc2Cl)cc2c1NC(c1c(Cl)c(C(C)(C)C)nn1C)N2OC(=O)C(F)(F)F.

What is the InChIKey of [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate?

The InChIKey is KFGBZIYIDFAHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2F3N5O3/c1-22(2,3)18-15(25)17(32(4)31-18)19-30-16-14(33(19)36-21(34)23(26,27)28)10-13(29-20(16)35-5)11-8-6-7-9-12(11)24/h6-10,19,30H,1-5H3.

What are the key properties of [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate?

[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 544.36 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-6-(2-chlorophenyl)-4-methoxy-2,3-dihydroimidazo[4,5-c]pyridin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 67411186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).