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N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride

C26H30Cl2F3N7O2 — CID 155098862

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
SMILESCl.Cn1c(-c2cn(C3CC3)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(C(=O)NCC2CCC(N)CC2)c(Cl)c1
InChIInChI=1S/C26H29ClF3N7O2.ClH/c1-36-21(19-13-37(17-7-8-17)35-22(19)26(28,29)30)12-32-23(36)25(39)34-16-6-9-18(20(27)10-16)24(38)33-11-14-2-4-15(31)5-3-14;/h6,9-10,12-15,17H,2-5,7-8,11,31H2,1H3,(H,33,38)(H,34,39);1H
InChIKeyLDARMWQICPMYKB-UHFFFAOYSA-N
MW600.47 g/mol
LogP5.21
Rot. Bonds7

About N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride

N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride (PubChem CID 155098862) has the molecular formula C26H30Cl2F3N7O2 and a molecular weight of 600.47 g/mol. Its IUPAC name is N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
PubChem CID155098862
Molecular FormulaC26H30Cl2F3N7O2
Molecular Weight600.47 g/mol
Exact Mass599.18
IUPAC NameN-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride
SMILESCl.Cn1c(-c2cn(C3CC3)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(C(=O)NCC2CCC(N)CC2)c(Cl)c1
InChIInChI=1S/C26H29ClF3N7O2.ClH/c1-36-21(19-13-37(17-7-8-17)35-22(19)26(28,29)30)12-32-23(36)25(39)34-16-6-9-18(20(27)10-16)24(38)33-11-14-2-4-15(31)5-3-14;/h6,9-10,12-15,17H,2-5,7-8,11,31H2,1H3,(H,33,38)(H,34,39);1H
InChIKeyLDARMWQICPMYKB-UHFFFAOYSA-N
XLogP5.21
TPSA119.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.47
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride (CID 155098862) is N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride is Cl.Cn1c(-c2cn(C3CC3)nc2C(F)(F)F)cnc1C(=O)Nc1ccc(C(=O)NCC2CCC(N)CC2)c(Cl)c1.
What is the InChIKey of N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?
The InChIKey is LDARMWQICPMYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF3N7O2.ClH/c1-36-21(19-13-37(17-7-8-17)35-22(19)26(28,29)30)12-32-23(36)25(39)34-16-6-9-18(20(27)10-16)24(38)33-11-14-2-4-15(31)5-3-14;/h6,9-10,12-15,17H,2-5,7-8,11,31H2,1H3,(H,33,38)(H,34,39);1H.
What are the key properties of N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride?
N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride has a molecular weight of 600.47 g/mol, XLogP of 5.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-aminocyclohexyl)methylcarbamoyl]-3-chlorophenyl]-5-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 155098862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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