5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide

C28H21Cl3F3N5O — CID 56682033

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide (PubChem CID 56682033) has the molecular formula C28H21Cl3F3N5O and a molecular weight of 606.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide
• PubChem CID: 56682033
• Molecular Formula: C28H21Cl3F3N5O
• Molecular Weight: 606.86 g/mol
• Exact Mass: 605.08
• IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide
• SMILES: Cc1c(C(=O)NC(C)(C)c2cn3cc(C(F)(F)F)ccc3n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C28H21Cl3F3N5O/c1-15-24(26(40)36-27(2,3)22-14-38-13-17(28(32,33)34)6-11-23(38)35-22)37-39(21-10-9-19(30)12-20(21)31)25(15)16-4-7-18(29)8-5-16/h4-14H,1-3H3,(H,36,40)
• InChIKey: LQKSYNNVCNESKD-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 64.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.86
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide (CID 56682033) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide is Cc1c(C(=O)NC(C)(C)c2cn3cc(C(F)(F)F)ccc3n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.

What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide?

The InChIKey is LQKSYNNVCNESKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl3F3N5O/c1-15-24(26(40)36-27(2,3)22-14-38-13-17(28(32,33)34)6-11-23(38)35-22)37-39(21-10-9-19(30)12-20(21)31)25(15)16-4-7-18(29)8-5-16/h4-14H,1-3H3,(H,36,40).

What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide?

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 606.86 g/mol, XLogP of 8.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 56682033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).