6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C32H26Cl2FN5O2S — CID 54761456

IUPAC6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc2n1C1CSc2ccccc2C1
InChIInChI=1S/C32H26Cl2FN5O2S/c33-20-5-7-23(26(34)13-20)25-12-19-15-37-32(38-21-6-8-24(27(35)14-21)28-16-36-9-10-42-28)39-30(19)40(31(25)41)22-11-18-3-1-2-4-29(18)43-17-22/h1-8,12-15,22,28,36H,9-11,16-17H2,(H,37,38,39)
InChIKeySGWOXUSEHBFPII-UHFFFAOYSA-N
MW634.56 g/mol
LogP7.20
Rot. Bonds5

About 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 54761456) has the molecular formula C32H26Cl2FN5O2S and a molecular weight of 634.56 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID54761456
Molecular FormulaC32H26Cl2FN5O2S
Molecular Weight634.56 g/mol
Exact Mass633.12
IUPAC Name6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc2n1C1CSc2ccccc2C1
InChIInChI=1S/C32H26Cl2FN5O2S/c33-20-5-7-23(26(34)13-20)25-12-19-15-37-32(38-21-6-8-24(27(35)14-21)28-16-36-9-10-42-28)39-30(19)40(31(25)41)22-11-18-3-1-2-4-29(18)43-17-22/h1-8,12-15,22,28,36H,9-11,16-17H2,(H,37,38,39)
InChIKeySGWOXUSEHBFPII-UHFFFAOYSA-N
XLogP7.20
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.56
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-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
6-[2-Fluoro-4-(2-methoxyethylsulfinyl)phenyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 89632799
2-(4-Morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)-6-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 89637759
8-Ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 54755672
8-Ethyl-6-(2-fluoro-5-methylsulfonylphenyl)-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 54755673
6-(2,4-Dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 54761287
6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 54761288
6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 54761289
6-(2,4-Dichlorophenyl)-8-(2,2-dimethyl-4-oxo-1,3-dihydroquinolin-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 54761457
8-Ethyl-6-[2-fluoro-5-[methyl(methylidene)-lambda4-sulfanyl]phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 157257561
6-[4-[Methylidene-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfanyl]phenyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158382424

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 54761456) is 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is O=c1c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc2n1C1CSc2ccccc2C1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SGWOXUSEHBFPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2FN5O2S/c33-20-5-7-23(26(34)13-20)25-12-19-15-37-32(38-21-6-8-24(27(35)14-21)28-16-36-9-10-42-28)39-30(19)40(31(25)41)22-11-18-3-1-2-4-29(18)43-17-22/h1-8,12-15,22,28,36H,9-11,16-17H2,(H,37,38,39).
What are the key properties of 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 634.56 g/mol, XLogP of 7.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-thiochromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 54761456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).