6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C153H151F3N44O9S4 — CID 161329084

IUPAC6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCC(Nc2ccc(Nc3ncc4cc(-c5nc(-c6nnnn6C)cn5C)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.Cc1c(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3nccs3)c2=O)ncn1C1=CCC=C1.Cc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(-c2nccs2)ccc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(CC2NC=CS2)c1=O.Cn1cnc(-c2ncc(-c3cc4cnc(Nc5ccc(NC6CCNCC6)cc5)nc4n(-c4ccccc4)c3=O)cn2)n1
InChIInChI=1S/C34H36N6O3S.C32H31N7O2S2.C31H29N11O.C30H28N8O2S.C26H27F3N12O/c1-22-16-25(24-10-15-44-21-24)18-36-31(22)30-17-26-19-37-34(39-32(26)40(33(30)41)20-23-8-13-42-14-9-23)38-27-2-4-28(5-3-27)43-29-6-11-35-12-7-29;1-20-15-21(30-35-12-14-43-30)4-9-26(20)27-16-22-17-36-32(38-29(22)39(31(27)40)19-28-34-11-13-42-28)37-23-5-7-24(8-6-23)41-25-3-2-10-33-18-25;1-41-19-36-28(40-41)27-33-17-21(18-34-27)26-15-20-16-35-31(39-29(20)42(30(26)43)25-5-3-2-4-6-25)38-23-9-7-22(8-10-23)37-24-11-13-32-14-12-24;1-19-26(33-18-37(19)23-5-3-4-6-23)24-15-21-16-32-29(35-27(21)38(28(24)39)30-31-11-14-41-30)34-22-9-7-20(8-10-22)25-17-36(2)12-13-40-25;1-38-9-8-18(12-38)31-16-4-6-17(7-5-16)32-25-30-11-15-10-19(24(42)41(21(15)34-25)14-26(27,28)29)22-33-20(13-39(22)2)23-35-36-37-40(23)3/h2-5,10,15-19,21,23,29,35H,6-9,11-14,20H2,1H3,(H,37,38,39);4-9,11-17,25,28,33-34H,2-3,10,18-19H2,1H3,(H,36,37,38);2-10,15-19,24,32,37H,11-14H2,1H3,(H,35,38,39);3,5-11,14-16,18,25H,4,12-13,17H2,1-2H3,(H,32,34,35);4-7,10-11,13,18,31H,8-9,12,14H2,1-3H3,(H,30,32,34)
InChIKeyVLEDIWFXDDBAKJ-UHFFFAOYSA-N
MW2935.45 g/mol
LogP23.79
Rot. Bonds36

About 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161329084) has the molecular formula C153H151F3N44O9S4 and a molecular weight of 2935.45 g/mol. Its IUPAC name is 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID161329084
Molecular FormulaC153H151F3N44O9S4
Molecular Weight2935.45 g/mol
Exact Mass2933.15
IUPAC Name6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCC(Nc2ccc(Nc3ncc4cc(-c5nc(-c6nnnn6C)cn5C)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.Cc1c(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3nccs3)c2=O)ncn1C1=CCC=C1.Cc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(-c2nccs2)ccc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(CC2NC=CS2)c1=O.Cn1cnc(-c2ncc(-c3cc4cnc(Nc5ccc(NC6CCNCC6)cc5)nc4n(-c4ccccc4)c3=O)cn2)n1
InChIInChI=1S/C34H36N6O3S.C32H31N7O2S2.C31H29N11O.C30H28N8O2S.C26H27F3N12O/c1-22-16-25(24-10-15-44-21-24)18-36-31(22)30-17-26-19-37-34(39-32(26)40(33(30)41)20-23-8-13-42-14-9-23)38-27-2-4-28(5-3-27)43-29-6-11-35-12-7-29;1-20-15-21(30-35-12-14-43-30)4-9-26(20)27-16-22-17-36-32(38-29(22)39(31(27)40)19-28-34-11-13-42-28)37-23-5-7-24(8-6-23)41-25-3-2-10-33-18-25;1-41-19-36-28(40-41)27-33-17-21(18-34-27)26-15-20-16-35-31(39-29(20)42(30(26)43)25-5-3-2-4-6-25)38-23-9-7-22(8-10-23)37-24-11-13-32-14-12-24;1-19-26(33-18-37(19)23-5-3-4-6-23)24-15-21-16-32-29(35-27(21)38(28(24)39)30-31-11-14-41-30)34-22-9-7-20(8-10-22)25-17-36(2)12-13-40-25;1-38-9-8-18(12-38)31-16-4-6-17(7-5-16)32-25-30-11-15-10-19(24(42)41(21(15)34-25)14-26(27,28)29)22-33-20(13-39(22)2)23-35-36-37-40(23)3/h2-5,10,15-19,21,23,29,35H,6-9,11-14,20H2,1H3,(H,37,38,39);4-9,11-17,25,28,33-34H,2-3,10,18-19H2,1H3,(H,36,37,38);2-10,15-19,24,32,37H,11-14H2,1H3,(H,35,38,39);3,5-11,14-16,18,25H,4,12-13,17H2,1-2H3,(H,32,34,35);4-7,10-11,13,18,31H,8-9,12,14H2,1-3H3,(H,30,32,34)
InChIKeyVLEDIWFXDDBAKJ-UHFFFAOYSA-N
XLogP23.79
TPSA589.03 Ų
H-Bond Donors11
H-Bond Acceptors57
Rotatable Bonds36
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002935.45
LogP ≤ 523.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1057

Analyze 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 161329084) is 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is CN1CCC(Nc2ccc(Nc3ncc4cc(-c5nc(-c6nnnn6C)cn5C)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.Cc1c(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(-c3nccs3)c2=O)ncn1C1=CCC=C1.Cc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(-c2nccs2)ccc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(CC2NC=CS2)c1=O.Cn1cnc(-c2ncc(-c3cc4cnc(Nc5ccc(NC6CCNCC6)cc5)nc4n(-c4ccccc4)c3=O)cn2)n1.
What is the InChIKey of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VLEDIWFXDDBAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O3S.C32H31N7O2S2.C31H29N11O.C30H28N8O2S.C26H27F3N12O/c1-22-16-25(24-10-15-44-21-24)18-36-31(22)30-17-26-19-37-34(39-32(26)40(33(30)41)20-23-8-13-42-14-9-23)38-27-2-4-28(5-3-27)43-29-6-11-35-12-7-29;1-20-15-21(30-35-12-14-43-30)4-9-26(20)27-16-22-17-36-32(38-29(22)39(31(27)40)19-28-34-11-13-42-28)37-23-5-7-24(8-6-23)41-25-3-2-10-33-18-25;1-41-19-36-28(40-41)27-33-17-21(18-34-27)26-15-20-16-35-31(39-29(20)42(30(26)43)25-5-3-2-4-6-25)38-23-9-7-22(8-10-23)37-24-11-13-32-14-12-24;1-19-26(33-18-37(19)23-5-3-4-6-23)24-15-21-16-32-29(35-27(21)38(28(24)39)30-31-11-14-41-30)34-22-9-7-20(8-10-22)25-17-36(2)12-13-40-25;1-38-9-8-18(12-38)31-16-4-6-17(7-5-16)32-25-30-11-15-10-19(24(42)41(21(15)34-25)14-26(27,28)29)22-33-20(13-39(22)2)23-35-36-37-40(23)3/h2-5,10,15-19,21,23,29,35H,6-9,11-14,20H2,1H3,(H,37,38,39);4-9,11-17,25,28,33-34H,2-3,10,18-19H2,1H3,(H,36,37,38);2-10,15-19,24,32,37H,11-14H2,1H3,(H,35,38,39);3,5-11,14-16,18,25H,4,12-13,17H2,1-2H3,(H,32,34,35);4-7,10-11,13,18,31H,8-9,12,14H2,1-3H3,(H,30,32,34).
What are the key properties of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2935.45 g/mol, XLogP of 23.79, 36 rotatable bonds, 11 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161329084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).