1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide

C117H98ClF6N15O5 — CID 159215273

IUPAC1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)C2=NN=C(C3CC3)C2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)NC2CCCCC2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(-n2cccn2)cc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc2cnccc12
InChIInChI=1S/C24H18F3N3O.C24H17F3N2O.C23H18ClN3O.C23H20N4O.C23H25N3O/c1-16-6-9-20(29-23(31)18-4-2-5-19(14-18)24(25,26)27)15-22(16)17-7-10-21(11-8-17)30-13-3-12-28-30;1-15-8-9-19(29-23(30)16-4-2-6-18(12-16)24(25,26)27)13-22(15)21-7-3-5-17-14-28-11-10-20(17)21;1-15-6-9-19(26-23(28)27-22-5-3-2-4-21(22)24)13-20(15)17-8-7-16-10-11-25-14-18(16)12-17;1-14-2-7-19(25-23(28)22-12-21(26-27-22)16-4-5-16)11-20(14)17-6-3-15-8-9-24-13-18(15)10-17;1-16-7-10-21(26-23(27)25-20-5-3-2-4-6-20)14-22(16)18-9-8-17-11-12-24-15-19(17)13-18/h2-15H,1H3,(H,29,31);2-14H,1H3,(H,29,30);2-14H,1H3,(H2,26,27,28);2-3,6-11,13,16H,4-5,12H2,1H3,(H,25,28);7-15,20H,2-6H2,1H3,(H2,25,26,27)
InChIKeyKQZHDFFIIGXXRQ-UHFFFAOYSA-N
MW1943.61 g/mol
LogP29.53
Rot. Bonds17

About 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide

1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 159215273) has the molecular formula C117H98ClF6N15O5 and a molecular weight of 1943.61 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID159215273
Molecular FormulaC117H98ClF6N15O5
Molecular Weight1943.61 g/mol
Exact Mass1941.75
IUPAC Name1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)C2=NN=C(C3CC3)C2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)NC2CCCCC2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(-n2cccn2)cc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc2cnccc12
InChIInChI=1S/C24H18F3N3O.C24H17F3N2O.C23H18ClN3O.C23H20N4O.C23H25N3O/c1-16-6-9-20(29-23(31)18-4-2-5-19(14-18)24(25,26)27)15-22(16)17-7-10-21(11-8-17)30-13-3-12-28-30;1-15-8-9-19(29-23(30)16-4-2-6-18(12-16)24(25,26)27)13-22(15)21-7-3-5-17-14-28-11-10-20(17)21;1-15-6-9-19(26-23(28)27-22-5-3-2-4-21(22)24)13-20(15)17-8-7-16-10-11-25-14-18(16)12-17;1-14-2-7-19(25-23(28)22-12-21(26-27-22)16-4-5-16)11-20(14)17-6-3-15-8-9-24-13-18(15)10-17;1-16-7-10-21(26-23(27)25-20-5-3-2-4-6-20)14-22(16)18-9-8-17-11-12-24-15-19(17)13-18/h2-15H,1H3,(H,29,31);2-14H,1H3,(H,29,30);2-14H,1H3,(H2,26,27,28);2-3,6-11,13,16H,4-5,12H2,1H3,(H,25,28);7-15,20H,2-6H2,1H3,(H2,25,26,27)
InChIKeyKQZHDFFIIGXXRQ-UHFFFAOYSA-N
XLogP29.53
TPSA263.66 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001943.61
LogP ≤ 529.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 157875091
2-amino-3-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;1-(2,4-difluorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-1H-indole-5-carboxamide;N-[4-methyl-3-(3-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 158970579
9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 159737514
4-[4-[4-Chloro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[4-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 160747170
N-[6-chloro-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)isoquinolin-8-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168080106

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide (CID 159215273) is 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)C2=NN=C(C3CC3)C2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)NC2CCCCC2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(-n2cccn2)cc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc2cnccc12.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KQZHDFFIIGXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O.C24H17F3N2O.C23H18ClN3O.C23H20N4O.C23H25N3O/c1-16-6-9-20(29-23(31)18-4-2-5-19(14-18)24(25,26)27)15-22(16)17-7-10-21(11-8-17)30-13-3-12-28-30;1-15-8-9-19(29-23(30)16-4-2-6-18(12-16)24(25,26)27)13-22(15)21-7-3-5-17-14-28-11-10-20(17)21;1-15-6-9-19(26-23(28)27-22-5-3-2-4-21(22)24)13-20(15)17-8-7-16-10-11-25-14-18(16)12-17;1-14-2-7-19(25-23(28)22-12-21(26-27-22)16-4-5-16)11-20(14)17-6-3-15-8-9-24-13-18(15)10-17;1-16-7-10-21(26-23(27)25-20-5-3-2-4-6-20)14-22(16)18-9-8-17-11-12-24-15-19(17)13-18/h2-15H,1H3,(H,29,31);2-14H,1H3,(H,29,30);2-14H,1H3,(H2,26,27,28);2-3,6-11,13,16H,4-5,12H2,1H3,(H,25,28);7-15,20H,2-6H2,1H3,(H2,25,26,27).
What are the key properties of 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide?
1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1943.61 g/mol, XLogP of 29.53, 17 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-cyclohexyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;5-cyclopropyl-N-(3-isoquinolin-7-yl-4-methylphenyl)-4H-pyrazole-3-carboxamide;N-(3-isoquinolin-5-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159215273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).