8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C26H26FN5O4S — CID 54755672

IUPAC8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(S(C)(=O)=O)ccc2F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21
InChIInChI=1S/C26H26FN5O4S/c1-3-32-24-17(12-21(25(32)33)20-13-19(37(2,34)35)8-9-22(20)27)14-29-26(31-24)30-18-6-4-16(5-7-18)23-15-28-10-11-36-23/h4-9,12-14,23,28H,3,10-11,15H2,1-2H3,(H,29,30,31)
InChIKeyMDEDMDIYYMAEGS-UHFFFAOYSA-N
MW523.59 g/mol
LogP3.43
Rot. Bonds6

About 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 54755672) has the molecular formula C26H26FN5O4S and a molecular weight of 523.59 g/mol. Its IUPAC name is 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID54755672
Molecular FormulaC26H26FN5O4S
Molecular Weight523.59 g/mol
Exact Mass523.17
IUPAC Name8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(S(C)(=O)=O)ccc2F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21
InChIInChI=1S/C26H26FN5O4S/c1-3-32-24-17(12-21(25(32)33)20-13-19(37(2,34)35)8-9-22(20)27)14-29-26(31-24)30-18-6-4-16(5-7-18)23-15-28-10-11-36-23/h4-9,12-14,23,28H,3,10-11,15H2,1-2H3,(H,29,30,31)
InChIKeyMDEDMDIYYMAEGS-UHFFFAOYSA-N
XLogP3.43
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-Ethyl-6-(2-fluoro-5-methylsulfinylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 54755549
8-Ethyl-6-(2-fluoro-5-methylsulfinylphenyl)-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 54755550
2-(4-Morpholin-2-ylanilino)-6-prop-1-ynyl-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 54761411
6-(5-Cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934094
6-(4-Cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934105
6-(4-Cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934196
8-[2-(Dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 71249775
8-(Cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 71249795
6-[4-Cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71251088
8-(Cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 89631851
8-[(2-Fluoro-6-pyridin-4-ylsulfinylphenyl)methyl]-6-methyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89632461
6-[4-Cyclohexylsulfonyl-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 89632744

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 54755672) is 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2cc(S(C)(=O)=O)ccc2F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.
What is the InChIKey of 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MDEDMDIYYMAEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4S/c1-3-32-24-17(12-21(25(32)33)20-13-19(37(2,34)35)8-9-22(20)27)14-29-26(31-24)30-18-6-4-16(5-7-18)23-15-28-10-11-36-23/h4-9,12-14,23,28H,3,10-11,15H2,1-2H3,(H,29,30,31).
What are the key properties of 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 523.59 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 54755672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).