8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C152H175N39O10S — CID 159631080

IUPAC8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESC#Cc1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2ccnn2-c2nccs2)c1=O.C=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ocnc2C2=CCCC2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2ncoc2C2CCNC2)c1=O)C(C)C.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2cncn2C2CC2)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5nccn5C5CCOCC5)c4n3)cc2)C1
InChIInChI=1S/C33H37N7O2.C32H39N7O3.C31H38N8O2.C28H27N9OS.C28H34N8O2/c1-21(22-9-10-22)28-16-24-17-35-33(37-25-11-13-26(14-12-25)39(2)27-8-5-15-34-18-27)38-31(24)40(32(28)41)19-29-30(36-20-42-29)23-6-3-4-7-23;1-20(2)21(3)27-14-23-16-34-32(36-24-7-9-25(10-8-24)42-26-6-5-13-38(4)17-26)37-30(23)39(31(27)40)18-28-29(41-19-35-28)22-11-12-33-15-22;1-37-13-2-3-25(19-37)34-23-6-8-24(9-7-23)35-31-33-18-22-17-27(21-4-5-21)30(40)39(29(22)36-31)20-28-32-12-14-38(28)26-10-15-41-16-11-26;1-3-19-16-20-17-31-27(33-21-4-6-22(7-5-21)35(2)23-8-11-29-12-9-23)34-25(20)36(26(19)38)18-24-10-13-32-37(24)28-30-14-15-39-28;1-3-38-25-14-19-15-30-28(32-21-6-4-20(5-7-21)31-22-10-12-34(2)13-11-22)33-26(19)35(27(25)37)17-24-16-29-18-36(24)23-8-9-23/h6,11-14,16-17,20,22,27,34H,1,3-5,7-10,15,18-19H2,2H3,(H,35,37,38);7-10,14,16,19-20,22,26,33H,3,5-6,11-13,15,17-18H2,1-2,4H3,(H,34,36,37);6-9,12,14,17-18,21,25-26,34H,2-5,10-11,13,15-16,19-20H2,1H3,(H,33,35,36);1,4-7,10,13-17,23,29H,8-9,11-12,18H2,2H3,(H,31,33,34);4-7,14-16,18,22-23,31H,3,8-13,17H2,1-2H3,(H,30,32,33)
InChIKeyMPDCPXCWWQGJRI-UHFFFAOYSA-N
MW2740.40 g/mol
LogP22.47
Rot. Bonds42

About 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159631080) has the molecular formula C152H175N39O10S and a molecular weight of 2740.40 g/mol. Its IUPAC name is 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID159631080
Molecular FormulaC152H175N39O10S
Molecular Weight2740.40 g/mol
Exact Mass2738.41
IUPAC Name8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESC#Cc1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2ccnn2-c2nccs2)c1=O.C=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ocnc2C2=CCCC2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2ncoc2C2CCNC2)c1=O)C(C)C.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2cncn2C2CC2)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5nccn5C5CCOCC5)c4n3)cc2)C1
InChIInChI=1S/C33H37N7O2.C32H39N7O3.C31H38N8O2.C28H27N9OS.C28H34N8O2/c1-21(22-9-10-22)28-16-24-17-35-33(37-25-11-13-26(14-12-25)39(2)27-8-5-15-34-18-27)38-31(24)40(32(28)41)19-29-30(36-20-42-29)23-6-3-4-7-23;1-20(2)21(3)27-14-23-16-34-32(36-24-7-9-25(10-8-24)42-26-6-5-13-38(4)17-26)37-30(23)39(31(27)40)18-28-29(41-19-35-28)22-11-12-33-15-22;1-37-13-2-3-25(19-37)34-23-6-8-24(9-7-23)35-31-33-18-22-17-27(21-4-5-21)30(40)39(29(22)36-31)20-28-32-12-14-38(28)26-10-15-41-16-11-26;1-3-19-16-20-17-31-27(33-21-4-6-22(7-5-21)35(2)23-8-11-29-12-9-23)34-25(20)36(26(19)38)18-24-10-13-32-37(24)28-30-14-15-39-28;1-3-38-25-14-19-15-30-28(32-21-6-4-20(5-7-21)31-22-10-12-34(2)13-11-22)33-26(19)35(27(25)37)17-24-16-29-18-36(24)23-8-9-23/h6,11-14,16-17,20,22,27,34H,1,3-5,7-10,15,18-19H2,2H3,(H,35,37,38);7-10,14,16,19-20,22,26,33H,3,5-6,11-13,15,17-18H2,1-2,4H3,(H,34,36,37);6-9,12,14,17-18,21,25-26,34H,2-5,10-11,13,15-16,19-20H2,1H3,(H,33,35,36);1,4-7,10,13-17,23,29H,8-9,11-12,18H2,2H3,(H,31,33,34);4-7,14-16,18,22-23,31H,3,8-13,17H2,1-2H3,(H,30,32,33)
InChIKeyMPDCPXCWWQGJRI-UHFFFAOYSA-N
XLogP22.47
TPSA521.50 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds42
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002740.40
LogP ≤ 522.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159631080) is 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2ccnn2-c2nccs2)c1=O.C=C(c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2ocnc2C2=CCCC2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2ncoc2C2CCNC2)c1=O)C(C)C.CCOc1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(Cc2cncn2C2CC2)c1=O.CN1CCCC(Nc2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5nccn5C5CCOCC5)c4n3)cc2)C1.
What is the InChIKey of 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MPDCPXCWWQGJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7O2.C32H39N7O3.C31H38N8O2.C28H27N9OS.C28H34N8O2/c1-21(22-9-10-22)28-16-24-17-35-33(37-25-11-13-26(14-12-25)39(2)27-8-5-15-34-18-27)38-31(24)40(32(28)41)19-29-30(36-20-42-29)23-6-3-4-7-23;1-20(2)21(3)27-14-23-16-34-32(36-24-7-9-25(10-8-24)42-26-6-5-13-38(4)17-26)37-30(23)39(31(27)40)18-28-29(41-19-35-28)22-11-12-33-15-22;1-37-13-2-3-25(19-37)34-23-6-8-24(9-7-23)35-31-33-18-22-17-27(21-4-5-21)30(40)39(29(22)36-31)20-28-32-12-14-38(28)26-10-15-41-16-11-26;1-3-19-16-20-17-31-27(33-21-4-6-22(7-5-21)35(2)23-8-11-29-12-9-23)34-25(20)36(26(19)38)18-24-10-13-32-37(24)28-30-14-15-39-28;1-3-38-25-14-19-15-30-28(32-21-6-4-20(5-7-21)31-22-10-12-34(2)13-11-22)33-26(19)35(27(25)37)17-24-16-29-18-36(24)23-8-9-23/h6,11-14,16-17,20,22,27,34H,1,3-5,7-10,15,18-19H2,2H3,(H,35,37,38);7-10,14,16,19-20,22,26,33H,3,5-6,11-13,15,17-18H2,1-2,4H3,(H,34,36,37);6-9,12,14,17-18,21,25-26,34H,2-5,10-11,13,15-16,19-20H2,1H3,(H,33,35,36);1,4-7,10,13-17,23,29H,8-9,11-12,18H2,2H3,(H,31,33,34);4-7,14-16,18,22-23,31H,3,8-13,17H2,1-2H3,(H,30,32,33).
What are the key properties of 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?
8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2740.40 g/mol, XLogP of 22.47, 42 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropylimidazol-4-yl)methyl]-6-ethoxy-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(oxan-4-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159631080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).