N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride

C24H26Cl2F3N7O2 — CID 155098485

About N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride

N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride (PubChem CID 155098485) has the molecular formula C24H26Cl2F3N7O2 and a molecular weight of 572.42 g/mol. Its IUPAC name is N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
• PubChem CID: 155098485
• Molecular Formula: C24H26Cl2F3N7O2
• Molecular Weight: 572.42 g/mol
• Exact Mass: 571.15
• IUPAC Name: N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
• SMILES: Cl.Cn1c(-c2cn(C3CCC3)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(C(=O)NC2CC(N)C2)c(Cl)c1
• InChI: InChI=1S/C24H25ClF3N7O2.ClH/c1-34-19(17-11-35(15-3-2-4-15)33-20(17)24(26,27)28)10-30-21(34)23(37)31-13-5-6-16(18(25)9-13)22(36)32-14-7-12(29)8-14;/h5-6,9-12,14-15H,2-4,7-8,29H2,1H3,(H,31,37)(H,32,36);1H
• InChIKey: JYPOZXHKXCBRTR-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 119.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.42
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?

The IUPAC name of N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride (CID 155098485) is N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?

The canonical SMILES for N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride is Cl.Cn1c(-c2cn(C3CCC3)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(C(=O)NC2CC(N)C2)c(Cl)c1.

What is the InChIKey of N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?

The InChIKey is JYPOZXHKXCBRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N7O2.ClH/c1-34-19(17-11-35(15-3-2-4-15)33-20(17)24(26,27)28)10-30-21(34)23(37)31-13-5-6-16(18(25)9-13)22(36)32-14-7-12(29)8-14;/h5-6,9-12,14-15H,2-4,7-8,29H2,1H3,(H,31,37)(H,32,36);1H.

What are the key properties of N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?

N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride has a molecular weight of 572.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 155098485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).