ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one

C24H29N3O4S — CID 155732416

IUPACethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCC.CO.COc1ccc(-c2cc3c(n(-c4ccccc4)c2=O)NC(S(C)=O)N=C3)cc1
InChIInChI=1S/C21H19N3O3S.C2H6.CH4O/c1-27-17-10-8-14(9-11-17)18-12-15-13-22-21(28(2)26)23-19(15)24(20(18)25)16-6-4-3-5-7-16;2*1-2/h3-13,21,23H,1-2H3;1-2H3;2H,1H3
InChIKeyVPZZKMXVGMBFQT-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.65
Rot. Bonds4

About ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one

ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 155732416) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Nameethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID155732416
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Nameethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCC.CO.COc1ccc(-c2cc3c(n(-c4ccccc4)c2=O)NC(S(C)=O)N=C3)cc1
InChIInChI=1S/C21H19N3O3S.C2H6.CH4O/c1-27-17-10-8-14(9-11-17)18-12-15-13-22-21(28(2)26)23-19(15)24(20(18)25)16-6-4-3-5-7-16;2*1-2/h3-13,21,23H,1-2H3;1-2H3;2H,1H3
InChIKeyVPZZKMXVGMBFQT-UHFFFAOYSA-N
XLogP3.65
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,2-dimethyl-1,3-benzodioxol-5-yl)-8-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-1,2-dihydropyrido[2,3-d]pyrimidin-7-one;ethane
CID 155732492
3-amino-4-(4-methoxyphenyl)-1-phenylpyridin-2-one
CID 141318946
4-(4-methoxyphenyl)-1-phenylquinolin-2-one
CID 166443023
1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one
CID 155347827
ethane;7-ethoxy-3-(6-imino-1-methanimidoyl-3-pyridinyl)-1-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one
CID 155732452
(2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one
CID 155347866
5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
2-(4-methoxyphenyl)-6-oxo-4-phenyl-1H-pyridine-3-carboxylic acid
CID 102419366
ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate
CID 71698444
12-(4-methoxyphenyl)-17-phenyl-17-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 90310220
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
3-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 764320

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one (CID 155732416) is ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one is CC.CO.COc1ccc(-c2cc3c(n(-c4ccccc4)c2=O)NC(S(C)=O)N=C3)cc1.
What is the InChIKey of ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VPZZKMXVGMBFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S.C2H6.CH4O/c1-27-17-10-8-14(9-11-17)18-12-15-13-22-21(28(2)26)23-19(15)24(20(18)25)16-6-4-3-5-7-16;2*1-2/h3-13,21,23H,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one?
ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 455.58 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155732416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).