8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C161H167F3N44O6S2 — CID 162216622

IUPAC8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCn1c(=O)c(-c2cnc(-c3ccccn3)nc2)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(CC(F)(F)F)c2=O)ncn1-c1cccnc1.Cc1cc(-c2cccn2C)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(-c2nccs2)c1=O.Cc1cc(-c2cccn2C)ncc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(-c2ccnn2C)cnc1-c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(Cc2nccs2)c1=O
InChIInChI=1S/C35H40N8O2.C33H32N8OS.C32H32N10OS.C32H35N9O.C29H28F3N9O/c1-23-18-31(32-4-3-15-42(32)2)37-21-30(23)29-19-25-20-38-35(41-33(25)43(34(29)44)22-24-11-16-45-17-12-24)40-27-7-5-26(6-8-27)39-28-9-13-36-14-10-28;1-21-17-23(29-5-4-13-39(29)3)6-8-26(21)27-19-24-20-36-32(38-30(24)41(31(27)42)33-35-12-16-43-33)37-25-7-9-28(22(2)18-25)40-14-10-34-11-15-40;1-20-14-21(27-9-11-37-41(27)2)16-35-29(20)26-15-22-17-36-32(40-30(22)42(31(26)43)19-28-34-12-13-44-28)39-24-7-5-23(6-8-24)38-25-4-3-10-33-18-25;1-39(2)15-16-41-30-24(17-27(31(41)42)25-19-34-29(35-20-25)28-8-4-5-13-33-28)18-36-32(38-30)37-26-11-9-22(10-12-26)23-7-6-14-40(3)21-23;1-19-25(35-18-41(19)23-4-3-9-33-16-23)24-14-20-15-34-28(37-26(20)40(27(24)42)17-29(30,31)32)36-21-5-7-22(8-6-21)39-12-10-38(2)11-13-39/h3-8,15,18-21,24,28,36,39H,9-14,16-17,22H2,1-2H3,(H,38,40,41);4-9,12-13,16-20,34H,10-11,14-15H2,1-3H3,(H,36,37,38);5-9,11-17,25,33,38H,3-4,10,18-19H2,1-2H3,(H,36,39,40);4-5,8-13,17-20,23H,6-7,14-16,21H2,1-3H3,(H,36,37,38);3-9,14-16,18H,10-13,17H2,1-2H3,(H,34,36,37)
InChIKeyZTNZTNPAHTYUKT-UHFFFAOYSA-N
MW2935.54 g/mol
LogP24.99
Rot. Bonds36

About 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 162216622) has the molecular formula C161H167F3N44O6S2 and a molecular weight of 2935.54 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID162216622
Molecular FormulaC161H167F3N44O6S2
Molecular Weight2935.54 g/mol
Exact Mass2933.35
IUPAC Name8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCn1c(=O)c(-c2cnc(-c3ccccn3)nc2)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(CC(F)(F)F)c2=O)ncn1-c1cccnc1.Cc1cc(-c2cccn2C)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(-c2nccs2)c1=O.Cc1cc(-c2cccn2C)ncc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(-c2ccnn2C)cnc1-c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(Cc2nccs2)c1=O
InChIInChI=1S/C35H40N8O2.C33H32N8OS.C32H32N10OS.C32H35N9O.C29H28F3N9O/c1-23-18-31(32-4-3-15-42(32)2)37-21-30(23)29-19-25-20-38-35(41-33(25)43(34(29)44)22-24-11-16-45-17-12-24)40-27-7-5-26(6-8-27)39-28-9-13-36-14-10-28;1-21-17-23(29-5-4-13-39(29)3)6-8-26(21)27-19-24-20-36-32(38-30(24)41(31(27)42)33-35-12-16-43-33)37-25-7-9-28(22(2)18-25)40-14-10-34-11-15-40;1-20-14-21(27-9-11-37-41(27)2)16-35-29(20)26-15-22-17-36-32(40-30(22)42(31(26)43)19-28-34-12-13-44-28)39-24-7-5-23(6-8-24)38-25-4-3-10-33-18-25;1-39(2)15-16-41-30-24(17-27(31(41)42)25-19-34-29(35-20-25)28-8-4-5-13-33-28)18-36-32(38-30)37-26-11-9-22(10-12-26)23-7-6-14-40(3)21-23;1-19-25(35-18-41(19)23-4-3-9-33-16-23)24-14-20-15-34-28(37-26(20)40(27(24)42)17-29(30,31)32)36-21-5-7-22(8-6-21)39-12-10-38(2)11-13-39/h3-8,15,18-21,24,28,36,39H,9-14,16-17,22H2,1-2H3,(H,38,40,41);4-9,12-13,16-20,34H,10-11,14-15H2,1-3H3,(H,36,37,38);5-9,11-17,25,33,38H,3-4,10,18-19H2,1-2H3,(H,36,39,40);4-5,8-13,17-20,23H,6-7,14-16,21H2,1-3H3,(H,36,37,38);3-9,14-16,18H,10-13,17H2,1-2H3,(H,34,36,37)
InChIKeyZTNZTNPAHTYUKT-UHFFFAOYSA-N
XLogP24.99
TPSA533.25 Ų
H-Bond Donors10
H-Bond Acceptors52
Rotatable Bonds36
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002935.54
LogP ≤ 524.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 162216622) is 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is CN(C)CCn1c(=O)c(-c2cnc(-c3ccccn3)nc2)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(CC(F)(F)F)c2=O)ncn1-c1cccnc1.Cc1cc(-c2cccn2C)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(-c2nccs2)c1=O.Cc1cc(-c2cccn2C)ncc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(-c2ccnn2C)cnc1-c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(Cc2nccs2)c1=O.
What is the InChIKey of 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZTNZTNPAHTYUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N8O2.C33H32N8OS.C32H32N10OS.C32H35N9O.C29H28F3N9O/c1-23-18-31(32-4-3-15-42(32)2)37-21-30(23)29-19-25-20-38-35(41-33(25)43(34(29)44)22-24-11-16-45-17-12-24)40-27-7-5-26(6-8-27)39-28-9-13-36-14-10-28;1-21-17-23(29-5-4-13-39(29)3)6-8-26(21)27-19-24-20-36-32(38-30(24)41(31(27)42)33-35-12-16-43-33)37-25-7-9-28(22(2)18-25)40-14-10-34-11-15-40;1-20-14-21(27-9-11-37-41(27)2)16-35-29(20)26-15-22-17-36-32(40-30(22)42(31(26)43)19-28-34-12-13-44-28)39-24-7-5-23(6-8-24)38-25-4-3-10-33-18-25;1-39(2)15-16-41-30-24(17-27(31(41)42)25-19-34-29(35-20-25)28-8-4-5-13-33-28)18-36-32(38-30)37-26-11-9-22(10-12-26)23-7-6-14-40(3)21-23;1-19-25(35-18-41(19)23-4-3-9-33-16-23)24-14-20-15-34-28(37-26(20)40(27(24)42)17-29(30,31)32)36-21-5-7-22(8-6-21)39-12-10-38(2)11-13-39/h3-8,15,18-21,24,28,36,39H,9-14,16-17,22H2,1-2H3,(H,38,40,41);4-9,12-13,16-20,34H,10-11,14-15H2,1-3H3,(H,36,37,38);5-9,11-17,25,33,38H,3-4,10,18-19H2,1-2H3,(H,36,39,40);4-5,8-13,17-20,23H,6-7,14-16,21H2,1-3H3,(H,36,37,38);3-9,14-16,18H,10-13,17H2,1-2H3,(H,34,36,37).
What are the key properties of 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2935.54 g/mol, XLogP of 24.99, 36 rotatable bonds, 10 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-pyridin-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-[4-(piperidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1-methylpyrrol-2-yl)-3-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-1-pyridin-3-ylimidazol-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162216622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).