2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C172H180N30O11S3 — CID 158139702

IUPAC2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O)N(C)C.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.Cc1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O.Cc1ccccc1Oc1cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc2n(C2C(=O)c3ccccc3CC2(C)C)c1=O
InChIInChI=1S/C39H40N6O3.C36H35N5OS.C33H34N6O2S.C32H37N7O2.C32H34N6O3S/c1-25-9-4-7-13-32(25)48-33-21-27-23-40-38(41-28-14-16-29(17-15-28)44-20-19-43-18-8-11-30(43)24-44)42-36(27)45(37(33)47)35-34(46)31-12-6-5-10-26(31)22-39(35,2)3;1-24(25-9-4-3-5-10-25)32-20-29-21-37-36(38-30-16-14-26(15-17-30)28-12-8-18-40(2)22-28)39-34(29)41(35(32)42)31-19-27-11-6-7-13-33(27)43-23-31;1-20(21-9-10-21)27-16-22-17-35-33(36-23-11-13-24(14-12-23)38(2)25-6-5-15-34-18-25)37-31(22)39(32(27)41)28-19-42-29-8-4-3-7-26(29)30(28)40;1-20-17-21-18-33-31(35-23-14-12-22(13-15-23)34-24-9-8-16-37(4)19-24)36-29(21)39(30(20)41)28-27(40)25-10-6-7-11-26(25)38(5)32(28,2)3;1-19(37(4)5)25-16-20-17-34-31(35-21-10-12-22(13-11-21)41-23-14-15-33-18-23)36-29(20)38(30(25)40)28-27(39)24-8-6-7-9-26(24)42-32(28,2)3/h4-7,9-10,12-17,21,23,30,35H,8,11,18-20,22,24H2,1-3H3,(H,40,41,42);3-7,9-11,13-17,20-21,28,31H,1,8,12,18-19,22-23H2,2H3,(H,37,38,39);3-4,7-8,11-14,16-17,21,25,28,34H,1,5-6,9-10,15,18-19H2,2H3,(H,35,36,37);6-7,10-15,17-18,24,28,34H,8-9,16,19H2,1-5H3,(H,33,35,36);6-13,16-17,23,28,33H,1,14-15,18H2,2-5H3,(H,34,35,36)
InChIKeyFTUBXLSLCITZOF-UHFFFAOYSA-N
MW2939.73 g/mol
LogP30.02
Rot. Bonds31

About 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158139702) has the molecular formula C172H180N30O11S3 and a molecular weight of 2939.73 g/mol. Its IUPAC name is 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID158139702
Molecular FormulaC172H180N30O11S3
Molecular Weight2939.73 g/mol
Exact Mass2937.36
IUPAC Name2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESC=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O)N(C)C.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.Cc1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O.Cc1ccccc1Oc1cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc2n(C2C(=O)c3ccccc3CC2(C)C)c1=O
InChIInChI=1S/C39H40N6O3.C36H35N5OS.C33H34N6O2S.C32H37N7O2.C32H34N6O3S/c1-25-9-4-7-13-32(25)48-33-21-27-23-40-38(41-28-14-16-29(17-15-28)44-20-19-43-18-8-11-30(43)24-44)42-36(27)45(37(33)47)35-34(46)31-12-6-5-10-26(31)22-39(35,2)3;1-24(25-9-4-3-5-10-25)32-20-29-21-37-36(38-30-16-14-26(15-17-30)28-12-8-18-40(2)22-28)39-34(29)41(35(32)42)31-19-27-11-6-7-13-33(27)43-23-31;1-20(21-9-10-21)27-16-22-17-35-33(36-23-11-13-24(14-12-23)38(2)25-6-5-15-34-18-25)37-31(22)39(32(27)41)28-19-42-29-8-4-3-7-26(29)30(28)40;1-20-17-21-18-33-31(35-23-14-12-22(13-15-23)34-24-9-8-16-37(4)19-24)36-29(21)39(30(20)41)28-27(40)25-10-6-7-11-26(25)38(5)32(28,2)3;1-19(37(4)5)25-16-20-17-34-31(35-21-10-12-22(13-11-21)41-23-14-15-33-18-23)36-29(20)38(30(25)40)28-27(39)24-8-6-7-9-26(24)42-32(28,2)3/h4-7,9-10,12-17,21,23,30,35H,8,11,18-20,22,24H2,1-3H3,(H,40,41,42);3-7,9-11,13-17,20-21,28,31H,1,8,12,18-19,22-23H2,2H3,(H,37,38,39);3-4,7-8,11-14,16-17,21,25,28,34H,1,5-6,9-10,15,18-19H2,2H3,(H,35,36,37);6-7,10-15,17-18,24,28,34H,8-9,16,19H2,1-5H3,(H,33,35,36);6-13,16-17,23,28,33H,1,14-15,18H2,2-5H3,(H,34,35,36)
InChIKeyFTUBXLSLCITZOF-UHFFFAOYSA-N
XLogP30.02
TPSA444.56 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002939.73
LogP ≤ 530.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)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-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 158139702) is 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(C2C(=O)c3ccccc3SC2(C)C)c1=O)N(C)C.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.Cc1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O.Cc1ccccc1Oc1cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc2n(C2C(=O)c3ccccc3CC2(C)C)c1=O.
What is the InChIKey of 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FTUBXLSLCITZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N6O3.C36H35N5OS.C33H34N6O2S.C32H37N7O2.C32H34N6O3S/c1-25-9-4-7-13-32(25)48-33-21-27-23-40-38(41-28-14-16-29(17-15-28)44-20-19-43-18-8-11-30(43)24-44)42-36(27)45(37(33)47)35-34(46)31-12-6-5-10-26(31)22-39(35,2)3;1-24(25-9-4-3-5-10-25)32-20-29-21-37-36(38-30-16-14-26(15-17-30)28-12-8-18-40(2)22-28)39-34(29)41(35(32)42)31-19-27-11-6-7-13-33(27)43-23-31;1-20(21-9-10-21)27-16-22-17-35-33(36-23-11-13-24(14-12-23)38(2)25-6-5-15-34-18-25)37-31(22)39(32(27)41)28-19-42-29-8-4-3-7-26(29)30(28)40;1-20-17-21-18-33-31(35-23-14-12-22(13-15-23)34-24-9-8-16-37(4)19-24)36-29(21)39(30(20)41)28-27(40)25-10-6-7-11-26(25)38(5)32(28,2)3;1-19(37(4)5)25-16-20-17-34-31(35-21-10-12-22(13-11-21)41-23-14-15-33-18-23)36-29(20)38(30(25)40)28-27(39)24-8-6-7-9-26(24)42-32(28,2)3/h4-7,9-10,12-17,21,23,30,35H,8,11,18-20,22,24H2,1-3H3,(H,40,41,42);3-7,9-11,13-17,20-21,28,31H,1,8,12,18-19,22-23H2,2H3,(H,37,38,39);3-4,7-8,11-14,16-17,21,25,28,34H,1,5-6,9-10,15,18-19H2,2H3,(H,35,36,37);6-7,10-15,17-18,24,28,34H,8-9,16,19H2,1-5H3,(H,33,35,36);6-13,16-17,23,28,33H,1,14-15,18H2,2-5H3,(H,34,35,36).
What are the key properties of 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2939.73 g/mol, XLogP of 30.02, 31 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(3,3-dimethyl-1-oxo-2,4-dihydronaphthalen-2-yl)-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-4-oxo-3H-thiochromen-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,2,2-trimethyl-4-oxo-3H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158139702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).