2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C159H172ClF5N40O9S4 — CID 157397790

IUPAC2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC1CN(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCCC6)cn5)c(=O)n(Cc5nccs5)c4n3)cc2F)CCN1.CC1CNCCN1c1ccc(Nc2ncc3cc(-c4cnc(-c5nccs5)nc4)c(=O)n(CC4CCOCC4)c3n2)cc1F.CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ccccc5C5CCCCN5)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1.CN1CCSC(c2ccc(Nc3ncc4cc(-c5cnc(C6CCCCC6)nc5)c(=O)n(-c5nccs5)c4n3)cc2)C1.Cn1cc(C2CCOCC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C33H35FN8OS.C32H38ClN9O3.C32H35F3N6O2.C31H32FN9O2S.C31H32N8OS2/c1-21-19-41(13-11-35-21)29-10-8-25(16-27(29)34)39-33-38-18-24-15-26(28-9-7-23(17-37-28)22-5-3-2-4-6-22)32(43)42(31(24)40-33)20-30-36-12-14-44-30;1-39-19-26(21-6-14-45-15-7-21)37-30(39)24-16-22-18-35-32(36-23-4-5-27(25(33)17-23)40-12-8-34-9-13-40)38-29(22)42(31(24)44)20-28(43)41-10-2-3-11-41;1-40-16-13-24(14-17-40)43-23-11-9-22(10-12-23)38-31-37-19-21-18-27(30(42)41(29(21)39-31)20-32(33,34)35)25-6-2-3-7-26(25)28-8-4-5-15-36-28;1-19-14-33-6-8-40(19)26-3-2-23(13-25(26)32)38-31-37-15-21-12-24(22-16-35-27(36-17-22)29-34-7-11-44-29)30(42)41(28(21)39-31)18-20-4-9-43-10-5-20;1-38-12-14-41-26(19-38)20-7-9-24(10-8-20)36-30-35-16-22-15-25(29(40)39(28(22)37-30)31-32-11-13-42-31)23-17-33-27(34-18-23)21-5-3-2-4-6-21/h7-10,12,14-18,21-22,35H,2-6,11,13,19-20H2,1H3,(H,38,39,40);4-5,16-19,21,34H,2-3,6-15,20H2,1H3,(H,35,36,38);2-3,6-7,9-12,18-19,24,28,36H,4-5,8,13-17,20H2,1H3,(H,37,38,39);2-3,7,11-13,15-17,19-20,33H,4-6,8-10,14,18H2,1H3,(H,37,38,39);7-11,13,15-18,21,26H,2-6,12,14,19H2,1H3,(H,35,36,37)
InChIKeyBMTZDOPNNJFRHV-UHFFFAOYSA-N
MW3046.11 g/mol
LogP26.34
Rot. Bonds34

About 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157397790) has the molecular formula C159H172ClF5N40O9S4 and a molecular weight of 3046.11 g/mol. Its IUPAC name is 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID157397790
Molecular FormulaC159H172ClF5N40O9S4
Molecular Weight3046.11 g/mol
Exact Mass3043.27
IUPAC Name2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC1CN(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCCC6)cn5)c(=O)n(Cc5nccs5)c4n3)cc2F)CCN1.CC1CNCCN1c1ccc(Nc2ncc3cc(-c4cnc(-c5nccs5)nc4)c(=O)n(CC4CCOCC4)c3n2)cc1F.CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ccccc5C5CCCCN5)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1.CN1CCSC(c2ccc(Nc3ncc4cc(-c5cnc(C6CCCCC6)nc5)c(=O)n(-c5nccs5)c4n3)cc2)C1.Cn1cc(C2CCOCC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C33H35FN8OS.C32H38ClN9O3.C32H35F3N6O2.C31H32FN9O2S.C31H32N8OS2/c1-21-19-41(13-11-35-21)29-10-8-25(16-27(29)34)39-33-38-18-24-15-26(28-9-7-23(17-37-28)22-5-3-2-4-6-22)32(43)42(31(24)40-33)20-30-36-12-14-44-30;1-39-19-26(21-6-14-45-15-7-21)37-30(39)24-16-22-18-35-32(36-23-4-5-27(25(33)17-23)40-12-8-34-9-13-40)38-29(22)42(31(24)44)20-28(43)41-10-2-3-11-41;1-40-16-13-24(14-17-40)43-23-11-9-22(10-12-23)38-31-37-19-21-18-27(30(42)41(29(21)39-31)20-32(33,34)35)25-6-2-3-7-26(25)28-8-4-5-15-36-28;1-19-14-33-6-8-40(19)26-3-2-23(13-25(26)32)38-31-37-15-21-12-24(22-16-35-27(36-17-22)29-34-7-11-44-29)30(42)41(28(21)39-31)18-20-4-9-43-10-5-20;1-38-12-14-41-26(19-38)20-7-9-24(10-8-20)36-30-35-16-22-15-25(29(40)39(28(22)37-30)31-32-11-13-42-31)23-17-33-27(34-18-23)21-5-3-2-4-6-21/h7-10,12,14-18,21-22,35H,2-6,11,13,19-20H2,1H3,(H,38,39,40);4-5,16-19,21,34H,2-3,6-15,20H2,1H3,(H,35,36,38);2-3,6-7,9-12,18-19,24,28,36H,4-5,8,13-17,20H2,1H3,(H,37,38,39);2-3,7,11-13,15-17,19-20,33H,4-6,8-10,14,18H2,1H3,(H,37,38,39);7-11,13,15-18,21,26H,2-6,12,14,19H2,1H3,(H,35,36,37)
InChIKeyBMTZDOPNNJFRHV-UHFFFAOYSA-N
XLogP26.34
TPSA532.31 Ų
H-Bond Donors9
H-Bond Acceptors52
Rotatable Bonds34
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003046.11
LogP ≤ 526.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 157397790) is 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is CC1CN(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCCC6)cn5)c(=O)n(Cc5nccs5)c4n3)cc2F)CCN1.CC1CNCCN1c1ccc(Nc2ncc3cc(-c4cnc(-c5nccs5)nc4)c(=O)n(CC4CCOCC4)c3n2)cc1F.CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ccccc5C5CCCCN5)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1.CN1CCSC(c2ccc(Nc3ncc4cc(-c5cnc(C6CCCCC6)nc5)c(=O)n(-c5nccs5)c4n3)cc2)C1.Cn1cc(C2CCOCC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BMTZDOPNNJFRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN8OS.C32H38ClN9O3.C32H35F3N6O2.C31H32FN9O2S.C31H32N8OS2/c1-21-19-41(13-11-35-21)29-10-8-25(16-27(29)34)39-33-38-18-24-15-26(28-9-7-23(17-37-28)22-5-3-2-4-6-22)32(43)42(31(24)40-33)20-30-36-12-14-44-30;1-39-19-26(21-6-14-45-15-7-21)37-30(39)24-16-22-18-35-32(36-23-4-5-27(25(33)17-23)40-12-8-34-9-13-40)38-29(22)42(31(24)44)20-28(43)41-10-2-3-11-41;1-40-16-13-24(14-17-40)43-23-11-9-22(10-12-23)38-31-37-19-21-18-27(30(42)41(29(21)39-31)20-32(33,34)35)25-6-2-3-7-26(25)28-8-4-5-15-36-28;1-19-14-33-6-8-40(19)26-3-2-23(13-25(26)32)38-31-37-15-21-12-24(22-16-35-27(36-17-22)29-34-7-11-44-29)30(42)41(28(21)39-31)18-20-4-9-43-10-5-20;1-38-12-14-41-26(19-38)20-7-9-24(10-8-20)36-30-35-16-22-15-25(29(40)39(28(22)37-30)31-32-11-13-42-31)23-17-33-27(34-18-23)21-5-3-2-4-6-21/h7-10,12,14-18,21-22,35H,2-6,11,13,19-20H2,1H3,(H,38,39,40);4-5,16-19,21,34H,2-3,6-15,20H2,1H3,(H,35,36,38);2-3,6-7,9-12,18-19,24,28,36H,4-5,8,13-17,20H2,1H3,(H,37,38,39);2-3,7,11-13,15-17,19-20,33H,4-6,8-10,14,18H2,1H3,(H,37,38,39);7-11,13,15-18,21,26H,2-6,12,14,19H2,1H3,(H,35,36,37).
What are the key properties of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3046.11 g/mol, XLogP of 26.34, 34 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexyl-2-pyridinyl)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexylpyrimidin-5-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157397790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).