N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea

C75H106BrN15O7 — CID 157466452

IUPACN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea
SMILESCN1C(=O)[C@@](C)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccnc(Br)c3)C2)N=C1N.COc1cccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1
InChIInChI=1S/C27H41N5O3.C25H36BrN5O2.C23H29N5O2/c1-32-24(33)27(31-25(32)28,15-14-19-8-4-3-5-9-19)18-20-10-6-11-21(16-20)29-26(34)30-22-12-7-13-23(17-22)35-2;1-31-23(33)25(30-24(31)27,12-10-17-6-3-2-4-7-17)16-18-8-5-9-20(14-18)29-22(32)19-11-13-28-21(26)15-19;1-23(20(29)28(2)21(24)27-23)14-15-6-5-9-18(12-15)25-22(30)26-19-11-10-16-7-3-4-8-17(16)13-19/h7,12-13,17,19-21H,3-6,8-11,14-16,18H2,1-2H3,(H2,28,31)(H2,29,30,34);11,13,15,17-18,20H,2-10,12,14,16H2,1H3,(H2,27,30)(H,29,32);3-4,7-8,10-11,13,15,18H,5-6,9,12,14H2,1-2H3,(H2,24,27)(H2,25,26,30)/t20-,21+,27+;18-,20+,25+;15-,18+,23+/m000/s1
InChIKeyBUNNZMRLTFECST-ODMGXAOISA-N
MW1409.67 g/mol
LogP12.52
Rot. Bonds19

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea (PubChem CID 157466452) has the molecular formula C75H106BrN15O7 and a molecular weight of 1409.67 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea
PubChem CID157466452
Molecular FormulaC75H106BrN15O7
Molecular Weight1409.67 g/mol
Exact Mass1407.76
IUPAC NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea
SMILESCN1C(=O)[C@@](C)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccnc(Br)c3)C2)N=C1N.COc1cccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1
InChIInChI=1S/C27H41N5O3.C25H36BrN5O2.C23H29N5O2/c1-32-24(33)27(31-25(32)28,15-14-19-8-4-3-5-9-19)18-20-10-6-11-21(16-20)29-26(34)30-22-12-7-13-23(17-22)35-2;1-31-23(33)25(30-24(31)27,12-10-17-6-3-2-4-7-17)16-18-8-5-9-20(14-18)29-22(32)19-11-13-28-21(26)15-19;1-23(20(29)28(2)21(24)27-23)14-15-6-5-9-18(12-15)25-22(30)26-19-11-10-16-7-3-4-8-17(16)13-19/h7,12-13,17,19-21H,3-6,8-11,14-16,18H2,1-2H3,(H2,28,31)(H2,29,30,34);11,13,15,17-18,20H,2-10,12,14,16H2,1H3,(H2,27,30)(H,29,32);3-4,7-8,10-11,13,15,18H,5-6,9,12,14H2,1-2H3,(H2,24,27)(H2,25,26,30)/t20-,21+,27+;18-,20+,25+;15-,18+,23+/m000/s1
InChIKeyBUNNZMRLTFECST-ODMGXAOISA-N
XLogP12.52
TPSA309.55 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001409.67
LogP ≤ 512.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea with MolForge

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Related Compounds

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxolan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea
CID 161366641
3-[3-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)phenyl]-N,N-dimethylbenzamide;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea;5-[3-(2,5-dimethoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine
CID 162025117

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea?
The IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea (CID 157466452) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea?
The canonical SMILES for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea is CN1C(=O)[C@@](C)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccnc(Br)c3)C2)N=C1N.COc1cccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1.
What is the InChIKey of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea?
The InChIKey is BUNNZMRLTFECST-ODMGXAOISA-N. The full InChI is InChI=1S/C27H41N5O3.C25H36BrN5O2.C23H29N5O2/c1-32-24(33)27(31-25(32)28,15-14-19-8-4-3-5-9-19)18-20-10-6-11-21(16-20)29-26(34)30-22-12-7-13-23(17-22)35-2;1-31-23(33)25(30-24(31)27,12-10-17-6-3-2-4-7-17)16-18-8-5-9-20(14-18)29-22(32)19-11-13-28-21(26)15-19;1-23(20(29)28(2)21(24)27-23)14-15-6-5-9-18(12-15)25-22(30)26-19-11-10-16-7-3-4-8-17(16)13-19/h7,12-13,17,19-21H,3-6,8-11,14-16,18H2,1-2H3,(H2,28,31)(H2,29,30,34);11,13,15,17-18,20H,2-10,12,14,16H2,1H3,(H2,27,30)(H,29,32);3-4,7-8,10-11,13,15,18H,5-6,9,12,14H2,1-2H3,(H2,24,27)(H2,25,26,30)/t20-,21+,27+;18-,20+,25+;15-,18+,23+/m000/s1.
What are the key properties of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea?
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea has a molecular weight of 1409.67 g/mol, XLogP of 12.52, 19 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 157466452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).