N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride

C24H27Cl2F4N7O2 — CID 155098600

IUPACN-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
SMILESC=C(F)Cn1cc(-c2cnc(C(=O)Nc3ccc(C(=O)NCCCCCN)c(Cl)c3)n2C)c(C(F)(F)F)n1.Cl
InChIInChI=1S/C24H26ClF4N7O2.ClH/c1-14(26)12-36-13-17(20(34-36)24(27,28)29)19-11-32-21(35(19)2)23(38)33-15-6-7-16(18(25)10-15)22(37)31-9-5-3-4-8-30;/h6-7,10-11,13H,1,3-5,8-9,12,30H2,2H3,(H,31,37)(H,33,38);1H
InChIKeyLQHYKIBNLHNSHV-UHFFFAOYSA-N
MW592.43 g/mol
LogP4.97
Rot. Bonds11

About N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride

N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride (PubChem CID 155098600) has the molecular formula C24H27Cl2F4N7O2 and a molecular weight of 592.43 g/mol. Its IUPAC name is N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
PubChem CID155098600
Molecular FormulaC24H27Cl2F4N7O2
Molecular Weight592.43 g/mol
Exact Mass591.15
IUPAC NameN-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
SMILESC=C(F)Cn1cc(-c2cnc(C(=O)Nc3ccc(C(=O)NCCCCCN)c(Cl)c3)n2C)c(C(F)(F)F)n1.Cl
InChIInChI=1S/C24H26ClF4N7O2.ClH/c1-14(26)12-36-13-17(20(34-36)24(27,28)29)19-11-32-21(35(19)2)23(38)33-15-6-7-16(18(25)10-15)22(37)31-9-5-3-4-8-30;/h6-7,10-11,13H,1,3-5,8-9,12,30H2,2H3,(H,31,37)(H,33,38);1H
InChIKeyLQHYKIBNLHNSHV-UHFFFAOYSA-N
XLogP4.97
TPSA119.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.43
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-aminobutylcarbamoyl)-3-chlorophenyl]-1-methyl-5-[1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide
CID 155098429
(1R,5S)-6-[[2-chloro-4-[[5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carbonyl]amino]benzoyl]amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 155098153
N-[4-[2-[(2S)-2-aminopropoxy]ethylcarbamoyl]-3-chlorophenyl]-1-methyl-5-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 161265217
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-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
CID 155098862
N-[4-[(3-aminopropylamino)-hydroxymethyl]-3-chlorophenyl]-1-methyl-5-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide
CID 155120568
N-(2-aminoethyl)-2-[4-[2-chloro-4-[1-[5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazol-2-yl]ethenylamino]benzoyl]piperazin-1-yl]acetamide
CID 155690657
N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155098119
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-[(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
(2,2,2-trifluoroacetyl) 2-chloro-4-[[1-methyl-5-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carbonyl]amino]benzoate
CID 155098500
N-[4-[4-[(1R,5S,6R)-1-amino-5-methyl-3-azabicyclo[3.1.0]hexane-6-carbonyl]piperazine-1-carbonyl]-3-chlorophenyl]-1-methyl-5-[1-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide
CID 155690650

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride (CID 155098600) is N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride is C=C(F)Cn1cc(-c2cnc(C(=O)Nc3ccc(C(=O)NCCCCCN)c(Cl)c3)n2C)c(C(F)(F)F)n1.Cl.
What is the InChIKey of N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?
The InChIKey is LQHYKIBNLHNSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF4N7O2.ClH/c1-14(26)12-36-13-17(20(34-36)24(27,28)29)19-11-32-21(35(19)2)23(38)33-15-6-7-16(18(25)10-15)22(37)31-9-5-3-4-8-30;/h6-7,10-11,13H,1,3-5,8-9,12,30H2,2H3,(H,31,37)(H,33,38);1H.
What are the key properties of N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?
N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride has a molecular weight of 592.43 g/mol, XLogP of 4.97, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-aminopentylcarbamoyl)-3-chlorophenyl]-5-[1-(2-fluoroprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 155098600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).