6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C139H152ClF3N30O14S5 — CID 159254654

IUPAC6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(S(=O)(=O)C3CC3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2C(F)(F)F)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)=O)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C29H32N6O3S.C28H29F3N6O3S.C28H32N6O3S.C27H29ClN6O3S.C27H30N6O2S/c1-3-35-27-21(18-26(28(35)36)20-4-10-24(11-5-20)39(37,38)25-12-13-25)19-30-29(32-27)31-22-6-8-23(9-7-22)34-16-14-33(2)15-17-34;1-4-37-25-18(15-23(26(37)38)22-10-9-21(41(3,39)40)16-24(22)28(29,30)31)17-32-27(34-25)33-19-5-7-20(8-6-19)36-13-11-35(2)12-14-36;1-5-34-26-20(17-25(27(34)35)24-11-10-23(16-19(24)2)38(4,36)37)18-29-28(31-26)30-21-6-8-22(9-7-21)33-14-12-32(3)13-15-33;1-4-34-25-18(15-23(26(34)35)22-10-9-21(16-24(22)28)38(3,36)37)17-29-27(31-25)30-19-5-7-20(8-6-19)33-13-11-32(2)12-14-33;1-4-33-25-20(17-24(26(33)34)19-5-11-23(12-6-19)36(3)35)18-28-27(30-25)29-21-7-9-22(10-8-21)32-15-13-31(2)14-16-32/h4-11,18-19,25H,3,12-17H2,1-2H3,(H,30,31,32);5-10,15-17H,4,11-14H2,1-3H3,(H,32,33,34);6-11,16-18H,5,12-15H2,1-4H3,(H,29,30,31);5-10,15-17H,4,11-14H2,1-3H3,(H,29,30,31);5-12,17-18H,4,13-16H2,1-3H3,(H,28,29,30)
InChIKeyKVSUOINQTGNUHN-UHFFFAOYSA-N
MW2719.72 g/mol
LogP19.73
Rot. Bonds31

About 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159254654) has the molecular formula C139H152ClF3N30O14S5 and a molecular weight of 2719.72 g/mol. Its IUPAC name is 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID159254654
Molecular FormulaC139H152ClF3N30O14S5
Molecular Weight2719.72 g/mol
Exact Mass2717.03
IUPAC Name6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(S(=O)(=O)C3CC3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2C(F)(F)F)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)=O)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C29H32N6O3S.C28H29F3N6O3S.C28H32N6O3S.C27H29ClN6O3S.C27H30N6O2S/c1-3-35-27-21(18-26(28(35)36)20-4-10-24(11-5-20)39(37,38)25-12-13-25)19-30-29(32-27)31-22-6-8-23(9-7-22)34-16-14-33(2)15-17-34;1-4-37-25-18(15-23(26(37)38)22-10-9-21(41(3,39)40)16-24(22)28(29,30)31)17-32-27(34-25)33-19-5-7-20(8-6-19)36-13-11-35(2)12-14-36;1-5-34-26-20(17-25(27(34)35)24-11-10-23(16-19(24)2)38(4,36)37)18-29-28(31-26)30-21-6-8-22(9-7-21)33-14-12-32(3)13-15-33;1-4-34-25-18(15-23(26(34)35)22-10-9-21(16-24(22)28)38(3,36)37)17-29-27(31-25)30-19-5-7-20(8-6-19)33-13-11-32(2)12-14-33;1-4-33-25-20(17-24(26(33)34)19-5-11-23(12-6-19)36(3)35)18-28-27(30-25)29-21-7-9-22(10-8-21)32-15-13-31(2)14-16-32/h4-11,18-19,25H,3,12-17H2,1-2H3,(H,30,31,32);5-10,15-17H,4,11-14H2,1-3H3,(H,32,33,34);6-11,16-18H,5,12-15H2,1-4H3,(H,29,30,31);5-10,15-17H,4,11-14H2,1-3H3,(H,29,30,31);5-12,17-18H,4,13-16H2,1-3H3,(H,28,29,30)
InChIKeyKVSUOINQTGNUHN-UHFFFAOYSA-N
XLogP19.73
TPSA485.08 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002719.72
LogP ≤ 519.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(2-Chloro-5-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 54755304
6-(2-Chloro-5-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 54755424
6-(2-Chloro-4-methylsulfonylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 89628368
6-[2,6-Dichloro-4-[2-(dimethylamino)ethylsulfonyl]phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 89632679
6-(2-Chloro-4-methylsulfinylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 89632683
6-[4-(Benzenesulfonyl)-2-(trifluoromethyl)phenyl]-8-(cyclopropylmethyl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89632720
8-(Cyclopropylmethyl)-6-[4-(1-methylpiperidin-4-yl)sulfonyl-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89632804
6-(2-Chloro-4-methylsulfinylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 89637770
6-(2-Chloro-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 89637772
6-(2,6-Dichloro-4-cyclopropylsulfonylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 89637773
6-(2-Chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89637932
6-(2-Chloro-5-methylsulfonylphenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 89822599

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 159254654) is 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(S(=O)(=O)C3CC3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2C(F)(F)F)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)(=O)=O)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(S(C)=O)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.
What is the InChIKey of 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KVSUOINQTGNUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3S.C28H29F3N6O3S.C28H32N6O3S.C27H29ClN6O3S.C27H30N6O2S/c1-3-35-27-21(18-26(28(35)36)20-4-10-24(11-5-20)39(37,38)25-12-13-25)19-30-29(32-27)31-22-6-8-23(9-7-22)34-16-14-33(2)15-17-34;1-4-37-25-18(15-23(26(37)38)22-10-9-21(41(3,39)40)16-24(22)28(29,30)31)17-32-27(34-25)33-19-5-7-20(8-6-19)36-13-11-35(2)12-14-36;1-5-34-26-20(17-25(27(34)35)24-11-10-23(16-19(24)2)38(4,36)37)18-29-28(31-26)30-21-6-8-22(9-7-21)33-14-12-32(3)13-15-33;1-4-34-25-18(15-23(26(34)35)22-10-9-21(16-24(22)28)38(3,36)37)17-29-27(31-25)30-19-5-7-20(8-6-19)33-13-11-32(2)12-14-33;1-4-33-25-20(17-24(26(33)34)19-5-11-23(12-6-19)36(3)35)18-28-27(30-25)29-21-7-9-22(10-8-21)32-15-13-31(2)14-16-32/h4-11,18-19,25H,3,12-17H2,1-2H3,(H,30,31,32);5-10,15-17H,4,11-14H2,1-3H3,(H,32,33,34);6-11,16-18H,5,12-15H2,1-4H3,(H,29,30,31);5-10,15-17H,4,11-14H2,1-3H3,(H,29,30,31);5-12,17-18H,4,13-16H2,1-3H3,(H,28,29,30).
What are the key properties of 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2719.72 g/mol, XLogP of 19.73, 31 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159254654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).