N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide

C82H105ClN14O7 — CID 162049069

IUPACN-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide
SMILESCC(=O)NCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(Oc4ccccc4)nc3)C2)N=C1N.COc1ccc2nc(N[C@@H]3CCC[C@H](C[C@@]4(CCC5CCCCC5)N=C(N)N(C)C4=O)C3)ccc2c1
InChIInChI=1S/C31H41N5O3.C29H41N5O2.C22H23ClN4O2/c1-36-29(38)31(35-30(36)32,18-17-22-9-4-2-5-10-22)20-23-11-8-12-25(19-23)34-28(37)24-15-16-27(33-21-24)39-26-13-6-3-7-14-26;1-34-27(35)29(33-28(34)30,16-15-20-7-4-3-5-8-20)19-21-9-6-10-23(17-21)31-26-14-11-22-18-24(36-2)12-13-25(22)32-26;1-14(28)25-10-11-27-20(29)22(17-8-9-17,26-21(27)24)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h3,6-7,13-16,21-23,25H,2,4-5,8-12,17-20H2,1H3,(H2,32,35)(H,34,37);11-14,18,20-21,23H,3-10,15-17,19H2,1-2H3,(H2,30,33)(H,31,32);2-7,12-13,17H,8-11H2,1H3,(H2,24,26)(H,25,28)/t23-,25+,31+;21-,23+,29+;/m00./s1
InChIKeyYYHOSBHCOXXWFR-ZEKHLRPUSA-N
MW1434.29 g/mol
LogP13.83
Rot. Bonds23

About N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide

N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 162049069) has the molecular formula C82H105ClN14O7 and a molecular weight of 1434.29 g/mol. Its IUPAC name is N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide
PubChem CID162049069
Molecular FormulaC82H105ClN14O7
Molecular Weight1434.29 g/mol
Exact Mass1432.80
IUPAC NameN-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide
SMILESCC(=O)NCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(Oc4ccccc4)nc3)C2)N=C1N.COc1ccc2nc(N[C@@H]3CCC[C@H](C[C@@]4(CCC5CCCCC5)N=C(N)N(C)C4=O)C3)ccc2c1
InChIInChI=1S/C31H41N5O3.C29H41N5O2.C22H23ClN4O2/c1-36-29(38)31(35-30(36)32,18-17-22-9-4-2-5-10-22)20-23-11-8-12-25(19-23)34-28(37)24-15-16-27(33-21-24)39-26-13-6-3-7-14-26;1-34-27(35)29(33-28(34)30,16-15-20-7-4-3-5-8-20)19-21-9-6-10-23(17-21)31-26-14-11-22-18-24(36-2)12-13-25(22)32-26;1-14(28)25-10-11-27-20(29)22(17-8-9-17,26-21(27)24)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h3,6-7,13-16,21-23,25H,2,4-5,8-12,17-20H2,1H3,(H2,32,35)(H,34,37);11-14,18,20-21,23H,3-10,15-17,19H2,1-2H3,(H2,30,33)(H,31,32);2-7,12-13,17H,8-11H2,1H3,(H2,24,26)(H,25,28)/t23-,25+,31+;21-,23+,29+;/m00./s1
InChIKeyYYHOSBHCOXXWFR-ZEKHLRPUSA-N
XLogP13.83
TPSA290.54 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001434.29
LogP ≤ 513.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide (CID 162049069) is N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide is CC(=O)NCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(Oc4ccccc4)nc3)C2)N=C1N.COc1ccc2nc(N[C@@H]3CCC[C@H](C[C@@]4(CCC5CCCCC5)N=C(N)N(C)C4=O)C3)ccc2c1.
What is the InChIKey of N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide?
The InChIKey is YYHOSBHCOXXWFR-ZEKHLRPUSA-N. The full InChI is InChI=1S/C31H41N5O3.C29H41N5O2.C22H23ClN4O2/c1-36-29(38)31(35-30(36)32,18-17-22-9-4-2-5-10-22)20-23-11-8-12-25(19-23)34-28(37)24-15-16-27(33-21-24)39-26-13-6-3-7-14-26;1-34-27(35)29(33-28(34)30,16-15-20-7-4-3-5-8-20)19-21-9-6-10-23(17-21)31-26-14-11-22-18-24(36-2)12-13-25(22)32-26;1-14(28)25-10-11-27-20(29)22(17-8-9-17,26-21(27)24)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h3,6-7,13-16,21-23,25H,2,4-5,8-12,17-20H2,1H3,(H2,32,35)(H,34,37);11-14,18,20-21,23H,3-10,15-17,19H2,1-2H3,(H2,30,33)(H,31,32);2-7,12-13,17H,8-11H2,1H3,(H2,24,26)(H,25,28)/t23-,25+,31+;21-,23+,29+;/m00./s1.
What are the key properties of N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide?
N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 1434.29 g/mol, XLogP of 13.83, 23 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 162049069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).