N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride

C25H25Cl2F3N8O2S — CID 155098216

IUPACN-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride
SMILESCc1nc(Cn2cc(-c3cnc(C(=O)Nc4ccc(C(=O)NC5CC(N)C5)c(Cl)c4)n3C)c(C(F)(F)F)n2)cs1.Cl
InChIInChI=1S/C25H24ClF3N8O2S.ClH/c1-12-32-16(11-40-12)9-37-10-18(21(35-37)25(27,28)29)20-8-31-22(36(20)2)24(39)33-14-3-4-17(19(26)7-14)23(38)34-15-5-13(30)6-15;/h3-4,7-8,10-11,13,15H,5-6,9,30H2,1-2H3,(H,33,39)(H,34,38);1H
InChIKeyGDBQPDODGOWJTQ-UHFFFAOYSA-N
MW629.50 g/mol
LogP4.66
Rot. Bonds7

About N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride

N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride (PubChem CID 155098216) has the molecular formula C25H25Cl2F3N8O2S and a molecular weight of 629.50 g/mol. Its IUPAC name is N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride
PubChem CID155098216
Molecular FormulaC25H25Cl2F3N8O2S
Molecular Weight629.50 g/mol
Exact Mass628.12
IUPAC NameN-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride
SMILESCc1nc(Cn2cc(-c3cnc(C(=O)Nc4ccc(C(=O)NC5CC(N)C5)c(Cl)c4)n3C)c(C(F)(F)F)n2)cs1.Cl
InChIInChI=1S/C25H24ClF3N8O2S.ClH/c1-12-32-16(11-40-12)9-37-10-18(21(35-37)25(27,28)29)20-8-31-22(36(20)2)24(39)33-14-3-4-17(19(26)7-14)23(38)34-15-5-13(30)6-15;/h3-4,7-8,10-11,13,15H,5-6,9,30H2,1-2H3,(H,33,39)(H,34,38);1H
InChIKeyGDBQPDODGOWJTQ-UHFFFAOYSA-N
XLogP4.66
TPSA132.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.50
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098272
N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098485
N-(3-aminocyclobutyl)-4-[2-chloro-4-[[5-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carbonyl]amino]benzoyl]piperazine-1-carboxamide;hydrochloride
CID 155098611
N-[4-[[3-[[(2R)-2-aminopropanoyl]amino]cyclobutyl]carbamoyl]-3-chlorophenyl]-5-[1-(cyanomethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098114
N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-5-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155120524
N-[4-[6-[(3-aminocyclobutyl)carbamoylamino]hexylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;formic acid
CID 155098732
N-[4-(4-aminobutylcarbamoyl)-3-chlorophenyl]-1-methyl-5-[1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide
CID 155098429
N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098600
N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098862
N-[3-chloro-4-[[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamoyl]phenyl]-5-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098312
N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098119
N-[3-chloro-4-[2-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetyl]phenyl]-1-methyl-5-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide
CID 155690590

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride (CID 155098216) is N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride is Cc1nc(Cn2cc(-c3cnc(C(=O)Nc4ccc(C(=O)NC5CC(N)C5)c(Cl)c4)n3C)c(C(F)(F)F)n2)cs1.Cl.
What is the InChIKey of N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride?
The InChIKey is GDBQPDODGOWJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N8O2S.ClH/c1-12-32-16(11-40-12)9-37-10-18(21(35-37)25(27,28)29)20-8-31-22(36(20)2)24(39)33-14-3-4-17(19(26)7-14)23(38)34-15-5-13(30)6-15;/h3-4,7-8,10-11,13,15H,5-6,9,30H2,1-2H3,(H,33,39)(H,34,38);1H.
What are the key properties of N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride?
N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride has a molecular weight of 629.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-aminocyclobutyl)carbamoyl]-3-chlorophenyl]-1-methyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 155098216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).