2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid

C23H25ClF3N5O4S — CID 137253026

About 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid

2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid (PubChem CID 137253026) has the molecular formula C23H25ClF3N5O4S and a molecular weight of 560.00 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid.

Molecular Properties

• Compound Name: 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid
• PubChem CID: 137253026
• Molecular Formula: C23H25ClF3N5O4S
• Molecular Weight: 560.00 g/mol
• Exact Mass: 559.13
• IUPAC Name: 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid
• SMILES: COc1nc(-c2ccccc2C(F)(F)F)cc2[nH]c(-c3c(Cl)c(C(C)(C)C)nn3C)nc12.CS(=O)(=O)O
• InChI: InChI=1S/C22H21ClF3N5O.CH4O3S/c1-21(2,3)18-15(23)17(31(4)30-18)19-27-14-10-13(28-20(32-5)16(14)29-19)11-8-6-7-9-12(11)22(24,25)26;1-5(2,3)4/h6-10H,1-5H3,(H,27,29);1H3,(H,2,3,4)
• InChIKey: DQHYVNJZOFZCBU-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 122.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.00
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid?

The IUPAC name of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid (CID 137253026) is 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid.

What is the SMILES notation for 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid?

The canonical SMILES for 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid is COc1nc(-c2ccccc2C(F)(F)F)cc2[nH]c(-c3c(Cl)c(C(C)(C)C)nn3C)nc12.CS(=O)(=O)O.

What is the InChIKey of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid?

The InChIKey is DQHYVNJZOFZCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N5O.CH4O3S/c1-21(2,3)18-15(23)17(31(4)30-18)19-27-14-10-13(28-20(32-5)16(14)29-19)11-8-6-7-9-12(11)22(24,25)26;1-5(2,3)4/h6-10H,1-5H3,(H,27,29);1H3,(H,2,3,4).

What are the key properties of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid?

2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid has a molecular weight of 560.00 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid is sourced from PubChem (CID 137253026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).