6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide

C118H130IN27O7S2 — CID 159786718

IUPAC6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)c3ccccc3)c2)N=C1N.CN1C(=O)C[C@@](C)(Cc2cccc(-c3ccncc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3c(I)n(CC4CC4)nc3c2)N=C1N.CN1C(=O)[C@@](C)(C[C@H]2CCC[C@@H](Nc3ccccn3)C2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccc3ncc(C#N)n3c2)N=C1N.Cc1ccc(-c2csc3ccc([C@]4(C)CC(=O)N(C)C(N)=N4)cc23)s1
InChIInChI=1S/C24H26N6O.C23H20N4O2.C19H19N3OS2.C18H20N4O.C17H20IN5O.C17H25N5O/c1-23(2,3)16-8-6-15(7-9-16)20-21(31)29(5)22(26)28-24(20,4)17-10-11-19-27-13-18(12-25)30(19)14-17;1-27-21(29)23(26-22(27)24,17-11-6-3-7-12-17)18-13-8-14-19(15-18)25-20(28)16-9-4-2-5-10-16;1-11-4-6-16(25-11)14-10-24-15-7-5-12(8-13(14)15)19(2)9-17(23)22(3)18(20)21-19;1-18(12-16(23)22(2)17(19)21-18)11-13-4-3-5-15(10-13)14-6-8-20-9-7-14;1-17(8-14(24)22(2)16(19)20-17)11-5-6-12-13(7-11)21-23(15(12)18)9-10-3-4-10;1-17(15(23)22(2)16(18)21-17)11-12-6-5-7-13(10-12)20-14-8-3-4-9-19-14/h6-11,13-14,20H,1-5H3,(H2,26,28);2-15H,1H3,(H2,24,26)(H,25,28);4-8,10H,9H2,1-3H3,(H2,20,21);3-10H,11-12H2,1-2H3,(H2,19,21);5-7,10H,3-4,8-9H2,1-2H3,(H2,19,20);3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,18,21)(H,19,20)/t20-,24+;;19-;18-;17-;12-,13+,17+/m0.0100/s1
InChIKeyNIASPZFGWKTANU-ZFYWKRDSSA-N
MW2229.56 g/mol
LogP17.25
Rot. Bonds18

About 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide

6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide (PubChem CID 159786718) has the molecular formula C118H130IN27O7S2 and a molecular weight of 2229.56 g/mol. Its IUPAC name is 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide
PubChem CID159786718
Molecular FormulaC118H130IN27O7S2
Molecular Weight2229.56 g/mol
Exact Mass2227.91
IUPAC Name6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)c3ccccc3)c2)N=C1N.CN1C(=O)C[C@@](C)(Cc2cccc(-c3ccncc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3c(I)n(CC4CC4)nc3c2)N=C1N.CN1C(=O)[C@@](C)(C[C@H]2CCC[C@@H](Nc3ccccn3)C2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccc3ncc(C#N)n3c2)N=C1N.Cc1ccc(-c2csc3ccc([C@]4(C)CC(=O)N(C)C(N)=N4)cc23)s1
InChIInChI=1S/C24H26N6O.C23H20N4O2.C19H19N3OS2.C18H20N4O.C17H20IN5O.C17H25N5O/c1-23(2,3)16-8-6-15(7-9-16)20-21(31)29(5)22(26)28-24(20,4)17-10-11-19-27-13-18(12-25)30(19)14-17;1-27-21(29)23(26-22(27)24,17-11-6-3-7-12-17)18-13-8-14-19(15-18)25-20(28)16-9-4-2-5-10-16;1-11-4-6-16(25-11)14-10-24-15-7-5-12(8-13(14)15)19(2)9-17(23)22(3)18(20)21-19;1-18(12-16(23)22(2)17(19)21-18)11-13-4-3-5-15(10-13)14-6-8-20-9-7-14;1-17(8-14(24)22(2)16(19)20-17)11-5-6-12-13(7-11)21-23(15(12)18)9-10-3-4-10;1-17(15(23)22(2)16(18)21-17)11-12-6-5-7-13(10-12)20-14-8-3-4-9-19-14/h6-11,13-14,20H,1-5H3,(H2,26,28);2-15H,1H3,(H2,24,26)(H,25,28);4-8,10H,9H2,1-3H3,(H2,20,21);3-10H,11-12H2,1-2H3,(H2,19,21);5-7,10H,3-4,8-9H2,1-2H3,(H2,19,20);3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,18,21)(H,19,20)/t20-,24+;;19-;18-;17-;12-,13+,17+/m0.0100/s1
InChIKeyNIASPZFGWKTANU-ZFYWKRDSSA-N
XLogP17.25
TPSA477.96 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002229.56
LogP ≤ 517.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide with MolForge

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Related Compounds

[2-[(3E)-3-[4-(3-aminopyrrolidin-1-yl)-1,5-dimethylpyrimidin-2-ylidene]prop-1-en-2-yl]piperidin-1-yl]-(1-methylindazol-4-yl)methanone;6-methyl-2-[1-[1-(5-methyl-1-benzothiophen-3-yl)ethenyl]piperidin-2-yl]-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 145014462
4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;5-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1H-pyridin-2-one;3-N,3-N-dimethyl-1-N-[3-(3-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-(3-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-(3-quinolin-7-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine
CID 157097896
3-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-5-(4-cyclopropylphenyl)-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3,5-dimethyl-5-(1-methylbenzimidazol-5-yl)imidazol-4-one;(6S)-2-amino-6-[1-(3-iodophenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-methylphenyl)urea
CID 158427149
2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-benzyl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[2-(cyclopentylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-pyrimidin-5-ylphenyl)-5H-pyrimidin-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 159567050
3-[[(4S)-2-amino-4-(1-benzothiophen-5-yl)-4-methyl-6-oxo-5H-pyrimidin-1-yl]methyl]-N-benzylbenzamide;3-[5-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-6-[1-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[1-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-phenyl-5-[3-(pyridin-2-ylmethylamino)phenyl]imidazol-4-one
CID 161332280
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-phenylsulfanyl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide;2-amino-3-methyl-5-phenyl-5-(5-pyrimidin-5-ylthiophen-2-yl)imidazol-4-one;(6S)-1-ethyl-6-(1-ethylindazol-6-yl)-2-imino-3,6-dimethyl-1,3-diazinan-4-one
CID 161619675
5-[1-[1-[1-[6-cyclopropyl-1-(thiophen-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-2-oxopyrrolidin-3-yl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166347302

Frequently Asked Questions

What is the IUPAC name of 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide?
The IUPAC name of 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide (CID 159786718) is 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide?
The canonical SMILES for 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide is CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)c3ccccc3)c2)N=C1N.CN1C(=O)C[C@@](C)(Cc2cccc(-c3ccncc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3c(I)n(CC4CC4)nc3c2)N=C1N.CN1C(=O)[C@@](C)(C[C@H]2CCC[C@@H](Nc3ccccn3)C2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccc3ncc(C#N)n3c2)N=C1N.Cc1ccc(-c2csc3ccc([C@]4(C)CC(=O)N(C)C(N)=N4)cc23)s1.
What is the InChIKey of 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide?
The InChIKey is NIASPZFGWKTANU-ZFYWKRDSSA-N. The full InChI is InChI=1S/C24H26N6O.C23H20N4O2.C19H19N3OS2.C18H20N4O.C17H20IN5O.C17H25N5O/c1-23(2,3)16-8-6-15(7-9-16)20-21(31)29(5)22(26)28-24(20,4)17-10-11-19-27-13-18(12-25)30(19)14-17;1-27-21(29)23(26-22(27)24,17-11-6-3-7-12-17)18-13-8-14-19(15-18)25-20(28)16-9-4-2-5-10-16;1-11-4-6-16(25-11)14-10-24-15-7-5-12(8-13(14)15)19(2)9-17(23)22(3)18(20)21-19;1-18(12-16(23)22(2)17(19)21-18)11-13-4-3-5-15(10-13)14-6-8-20-9-7-14;1-17(8-14(24)22(2)16(19)20-17)11-5-6-12-13(7-11)21-23(15(12)18)9-10-3-4-10;1-17(15(23)22(2)16(18)21-17)11-12-6-5-7-13(10-12)20-14-8-3-4-9-19-14/h6-11,13-14,20H,1-5H3,(H2,26,28);2-15H,1H3,(H2,24,26)(H,25,28);4-8,10H,9H2,1-3H3,(H2,20,21);3-10H,11-12H2,1-2H3,(H2,19,21);5-7,10H,3-4,8-9H2,1-2H3,(H2,19,20);3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,18,21)(H,19,20)/t20-,24+;;19-;18-;17-;12-,13+,17+/m0.0100/s1.
What are the key properties of 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide?
6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide has a molecular weight of 2229.56 g/mol, XLogP of 17.25, 18 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S,5R)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile;(6S)-2-amino-6-[2-(cyclopropylmethyl)-3-iodoindazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one;(5R)-2-amino-3,5-dimethyl-5-[[(1S,3R)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-4-ylphenyl)methyl]-5H-pyrimidin-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 159786718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).