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

C26H26ClN5O4S — CID 54755306

IUPAC6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(S(C)(=O)=O)ccc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21
InChIInChI=1S/C26H26ClN5O4S/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)
InChIKeyJZAPBDHBQHAWDA-UHFFFAOYSA-N
MW540.05 g/mol
LogP3.94
Rot. Bonds6

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

6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 54755306) has the molecular formula C26H26ClN5O4S and a molecular weight of 540.05 g/mol. Its IUPAC name is 6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID54755306
Molecular FormulaC26H26ClN5O4S
Molecular Weight540.05 g/mol
Exact Mass539.14
IUPAC Name6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(S(C)(=O)=O)ccc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21
InChIInChI=1S/C26H26ClN5O4S/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)
InChIKeyJZAPBDHBQHAWDA-UHFFFAOYSA-N
XLogP3.94
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.05
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71251088
6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 70934274
6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 70934502
6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71249838
3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-7-(4-morpholin-2-ylanilino)-1,8-naphthyridin-2-one
CID 70934137
6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 90213114
6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934563
6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 51354239
6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934377
6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71249747
8-[2-[methyl(methylsulfanyl)amino]ethyl]-6-[1-methyl-4-(1,3-thiazol-5-yl)imidazol-2-yl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 90213068
6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 160969960

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 54755306) is 6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2cc(S(C)(=O)=O)ccc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.
What is the InChIKey of 6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JZAPBDHBQHAWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O4S/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 6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 540.05 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 54755306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).