6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C136H137ClN28O12S2 — CID 159223466

IUPAC6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCN(c1ccccc1)c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ccoc2C2CCNC2)c1=O.CN1CCC(Oc2ccc(Nc3ncc4cc(C(=O)C5CCOCC5)c(=O)n(Cc5ccccc5-c5nccs5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(Cc3ccncc3C3CCOCC3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2cnnn2-c2ccncc2)c1=O
InChIInChI=1S/C35H35ClN6O2S.C34H37N7O3.C34H34N6O4S.C33H31N9O3/c1-22-2-7-28(31(36)16-22)29-17-26-18-39-35(40-27-5-3-24(4-6-27)32-20-38-12-15-45-32)41-33(26)42(34(29)43)21-25-8-11-37-19-30(25)23-9-13-44-14-10-23;1-40(27-6-3-2-4-7-27)30-18-25-20-37-34(38-26-9-11-28(12-10-26)44-29-8-5-15-35-21-29)39-32(25)41(33(30)42)22-24-14-17-43-31(24)23-13-16-36-19-23;1-39-14-10-27(21-39)44-26-8-6-25(7-9-26)37-34-36-19-24-18-29(30(41)22-11-15-43-16-12-22)33(42)40(31(24)38-34)20-23-4-2-3-5-28(23)32-35-13-17-45-32;1-22-4-2-3-5-29(22)45-30-18-23-19-36-33(38-24-6-8-27(9-7-24)44-28-12-16-35-17-13-28)39-31(23)41(32(30)43)21-26-20-37-40-42(26)25-10-14-34-15-11-25/h2-8,11,16-19,23,32,38H,9-10,12-15,20-21H2,1H3,(H,39,40,41);2-4,6-7,9-12,14,17-18,20,23,29,35-36H,5,8,13,15-16,19,21-22H2,1H3,(H,37,38,39);2-9,13,17-19,22,27H,10-12,14-16,20-21H2,1H3,(H,36,37,38);2-11,14-15,18-20,28,35H,12-13,16-17,21H2,1H3,(H,36,38,39)
InChIKeyKRZIVYZURIDHIX-UHFFFAOYSA-N
MW2455.36 g/mol
LogP22.22
Rot. Bonds34

About 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159223466) has the molecular formula C136H137ClN28O12S2 and a molecular weight of 2455.36 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID159223466
Molecular FormulaC136H137ClN28O12S2
Molecular Weight2455.36 g/mol
Exact Mass2453.01
IUPAC Name6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCN(c1ccccc1)c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ccoc2C2CCNC2)c1=O.CN1CCC(Oc2ccc(Nc3ncc4cc(C(=O)C5CCOCC5)c(=O)n(Cc5ccccc5-c5nccs5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(Cc3ccncc3C3CCOCC3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2cnnn2-c2ccncc2)c1=O
InChIInChI=1S/C35H35ClN6O2S.C34H37N7O3.C34H34N6O4S.C33H31N9O3/c1-22-2-7-28(31(36)16-22)29-17-26-18-39-35(40-27-5-3-24(4-6-27)32-20-38-12-15-45-32)41-33(26)42(34(29)43)21-25-8-11-37-19-30(25)23-9-13-44-14-10-23;1-40(27-6-3-2-4-7-27)30-18-25-20-37-34(38-26-9-11-28(12-10-26)44-29-8-5-15-35-21-29)39-32(25)41(33(30)42)22-24-14-17-43-31(24)23-13-16-36-19-23;1-39-14-10-27(21-39)44-26-8-6-25(7-9-26)37-34-36-19-24-18-29(30(41)22-11-15-43-16-12-22)33(42)40(31(24)38-34)20-23-4-2-3-5-28(23)32-35-13-17-45-32;1-22-4-2-3-5-29(22)45-30-18-23-19-36-33(38-24-6-8-27(9-7-24)44-28-12-16-35-17-13-28)39-31(23)41(32(30)43)21-26-20-37-40-42(26)25-10-14-34-15-11-25/h2-8,11,16-19,23,32,38H,9-10,12-15,20-21H2,1H3,(H,39,40,41);2-4,6-7,9-12,14,17-18,20,23,29,35-36H,5,8,13,15-16,19,21-22H2,1H3,(H,37,38,39);2-9,13,17-19,22,27H,10-12,14-16,20-21H2,1H3,(H,36,37,38);2-11,14-15,18-20,28,35H,12-13,16-17,21H2,1H3,(H,36,38,39)
InChIKeyKRZIVYZURIDHIX-UHFFFAOYSA-N
XLogP22.22
TPSA448.81 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds34
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002455.36
LogP ≤ 522.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159223466) is 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is CN(c1ccccc1)c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ccoc2C2CCNC2)c1=O.CN1CCC(Oc2ccc(Nc3ncc4cc(C(=O)C5CCOCC5)c(=O)n(Cc5ccccc5-c5nccs5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(Cc3ccncc3C3CCOCC3)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2cnnn2-c2ccncc2)c1=O.
What is the InChIKey of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KRZIVYZURIDHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClN6O2S.C34H37N7O3.C34H34N6O4S.C33H31N9O3/c1-22-2-7-28(31(36)16-22)29-17-26-18-39-35(40-27-5-3-24(4-6-27)32-20-38-12-15-45-32)41-33(26)42(34(29)43)21-25-8-11-37-19-30(25)23-9-13-44-14-10-23;1-40(27-6-3-2-4-7-27)30-18-25-20-37-34(38-26-9-11-28(12-10-26)44-29-8-5-15-35-21-29)39-32(25)41(33(30)42)22-24-14-17-43-31(24)23-13-16-36-19-23;1-39-14-10-27(21-39)44-26-8-6-25(7-9-26)37-34-36-19-24-18-29(30(41)22-11-15-43-16-12-22)33(42)40(31(24)38-34)20-23-4-2-3-5-28(23)32-35-13-17-45-32;1-22-4-2-3-5-29(22)45-30-18-23-19-36-33(38-24-6-8-27(9-7-24)44-28-12-16-35-17-13-28)39-31(23)41(32(30)43)21-26-20-37-40-42(26)25-10-14-34-15-11-25/h2-8,11,16-19,23,32,38H,9-10,12-15,20-21H2,1H3,(H,39,40,41);2-4,6-7,9-12,14,17-18,20,23,29,35-36H,5,8,13,15-16,19,21-22H2,1H3,(H,37,38,39);2-9,13,17-19,22,27H,10-12,14-16,20-21H2,1H3,(H,36,37,38);2-11,14-15,18-20,28,35H,12-13,16-17,21H2,1H3,(H,36,38,39).
What are the key properties of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2455.36 g/mol, XLogP of 22.22, 34 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159223466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).