2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one

C65H77ClF3N11O5S — CID 161120470

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc(-c3cccc(OC(F)(F)F)c3)s2)N=C1N.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cn1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC1CC1
InChIInChI=1S/C26H39N5O2.C22H22ClN3O.C17H16F3N3O2S/c1-18-11-12-21(17-28-18)23(32)29-22-10-6-9-20(15-22)16-26(24(33)31(2)25(27)30-26)14-13-19-7-4-3-5-8-19;23-19-6-2-4-16(12-19)15-3-1-5-18(11-15)22(17-9-10-17)20(27)26(21(24)25-22)13-14-7-8-14;1-16(9-14(24)23(2)15(21)22-16)13-7-6-12(26-13)10-4-3-5-11(8-10)25-17(18,19)20/h11-12,17,19-20,22H,3-10,13-16H2,1-2H3,(H2,27,30)(H,29,32);1-6,11-12,14,17H,7-10,13H2,(H2,24,25);3-8H,9H2,1-2H3,(H2,21,22)/t20-,22+,26+;;16-/m0.0/s1
InChIKeyUKWOXDZPXDUQFT-DCQGLEDZSA-N
MW1216.92 g/mol
LogP11.84
Rot. Bonds15

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one (PubChem CID 161120470) has the molecular formula C65H77ClF3N11O5S and a molecular weight of 1216.92 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
PubChem CID161120470
Molecular FormulaC65H77ClF3N11O5S
Molecular Weight1216.92 g/mol
Exact Mass1215.55
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc(-c3cccc(OC(F)(F)F)c3)s2)N=C1N.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cn1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC1CC1
InChIInChI=1S/C26H39N5O2.C22H22ClN3O.C17H16F3N3O2S/c1-18-11-12-21(17-28-18)23(32)29-22-10-6-9-20(15-22)16-26(24(33)31(2)25(27)30-26)14-13-19-7-4-3-5-8-19;23-19-6-2-4-16(12-19)15-3-1-5-18(11-15)22(17-9-10-17)20(27)26(21(24)25-22)13-14-7-8-14;1-16(9-14(24)23(2)15(21)22-16)13-7-6-12(26-13)10-4-3-5-11(8-10)25-17(18,19)20/h11-12,17,19-20,22H,3-10,13-16H2,1-2H3,(H2,27,30)(H,29,32);1-6,11-12,14,17H,7-10,13H2,(H2,24,25);3-8H,9H2,1-2H3,(H2,21,22)/t20-,22+,26+;;16-/m0.0/s1
InChIKeyUKWOXDZPXDUQFT-DCQGLEDZSA-N
XLogP11.84
TPSA227.29 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001216.92
LogP ≤ 511.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one (CID 161120470) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2ccc(-c3cccc(OC(F)(F)F)c3)s2)N=C1N.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cn1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC1CC1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one?
The InChIKey is UKWOXDZPXDUQFT-DCQGLEDZSA-N. The full InChI is InChI=1S/C26H39N5O2.C22H22ClN3O.C17H16F3N3O2S/c1-18-11-12-21(17-28-18)23(32)29-22-10-6-9-20(15-22)16-26(24(33)31(2)25(27)30-26)14-13-19-7-4-3-5-8-19;23-19-6-2-4-16(12-19)15-3-1-5-18(11-15)22(17-9-10-17)20(27)26(21(24)25-22)13-14-7-8-14;1-16(9-14(24)23(2)15(21)22-16)13-7-6-12(26-13)10-4-3-5-11(8-10)25-17(18,19)20/h11-12,17,19-20,22H,3-10,13-16H2,1-2H3,(H2,27,30)(H,29,32);1-6,11-12,14,17H,7-10,13H2,(H2,24,25);3-8H,9H2,1-2H3,(H2,21,22)/t20-,22+,26+;;16-/m0.0/s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one has a molecular weight of 1216.92 g/mol, XLogP of 11.84, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one is sourced from PubChem (CID 161120470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).