7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

C26H18ClN3O2S — CID 100991287

IUPAC7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccccc1-n1c(=S)[nH]c2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c2c1=O
InChIInChI=1S/C26H18ClN3O2S/c1-32-22-10-6-5-9-21(22)30-25(31)23-19(16-7-3-2-4-8-16)15-20(28-24(23)29-26(30)33)17-11-13-18(27)14-12-17/h2-15H,1H3,(H,28,29,33)
InChIKeyPXJFDPPUBQQHGG-UHFFFAOYSA-N
MW471.97 g/mol
LogP6.44
Rot. Bonds4

About 7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 100991287) has the molecular formula C26H18ClN3O2S and a molecular weight of 471.97 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID100991287
Molecular FormulaC26H18ClN3O2S
Molecular Weight471.97 g/mol
Exact Mass471.08
IUPAC Name7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccccc1-n1c(=S)[nH]c2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c2c1=O
InChIInChI=1S/C26H18ClN3O2S/c1-32-22-10-6-5-9-21(22)30-25(31)23-19(16-7-3-2-4-8-16)15-20(28-24(23)29-26(30)33)17-11-13-18(27)14-12-17/h2-15H,1H3,(H,28,29,33)
InChIKeyPXJFDPPUBQQHGG-UHFFFAOYSA-N
XLogP6.44
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.97
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 87203020
1-(2-methoxyphenyl)-7-(4-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29090472
5,7-bis(4-chlorophenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 6199734
3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
CID 4575566
6-methoxy-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 87203073
1-(2-methoxyphenyl)-7-(3-methoxyphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29090468
11-(4-methoxyphenyl)-5-(3-methylphenyl)-13-phenyl-4-sulfanylidene-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one
CID 10577547
7-bromo-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 177325664
7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(2-methoxyphenyl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
CID 29090102
5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dithione
CID 11178208
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
4-(2-methoxy-5-phenylphenyl)-3-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-thione
CID 44758620

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (CID 100991287) is 7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is COc1ccccc1-n1c(=S)[nH]c2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c2c1=O.
What is the InChIKey of 7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is PXJFDPPUBQQHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O2S/c1-32-22-10-6-5-9-21(22)30-25(31)23-19(16-7-3-2-4-8-16)15-20(28-24(23)29-26(30)33)17-11-13-18(27)14-12-17/h2-15H,1H3,(H,28,29,33).
What are the key properties of 7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 471.97 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 100991287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).