6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C119H127ClN26O6S4 — CID 159514520

About 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159514520) has the molecular formula C119H127ClN26O6S4 and a molecular weight of 2181.22 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159514520
• Molecular Formula: C119H127ClN26O6S4
• Molecular Weight: 2181.22 g/mol
• Exact Mass: 2178.90
• IUPAC Name: 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2ncsc2C2=CCCC2)c1=O.CN1CCOC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5scnc5C5CCNC5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(Cc3sccc3C3CCOCC3)c2=O)c(Cl)c1.O=c1ccc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n1Cc1ccsc1C1CC1
• InChI: InChI=1S/C35H37ClN6O2S.C29H33N7O2S.C29H29N7OS.C26H28N6OS/c1-22-4-9-29(31(36)17-22)30-18-24-19-38-35(40-26-7-5-25(6-8-26)39-27-3-2-13-37-20-27)41-33(24)42(34(30)43)21-32-28(12-16-45-32)23-10-14-44-15-11-23;1-35-10-11-38-24(15-35)19-4-6-22(7-5-19)33-29-31-14-21-12-23(18-2-3-18)28(37)36(27(21)34-29)16-25-26(32-17-39-25)20-8-9-30-13-20;1-3-19-14-21-15-30-29(33-23-10-8-22(9-11-23)32-24-12-13-35(2)16-24)34-27(21)36(28(19)37)17-25-26(38-18-31-25)20-6-4-5-7-20;33-23-8-3-18-15-28-26(30-21-6-4-20(5-7-21)29-22-9-12-27-13-10-22)31-25(18)32(23)16-19-11-14-34-24(19)17-1-2-17/h4-9,12,16-19,23,27,37,39H,2-3,10-11,13-15,20-21H2,1H3,(H,38,40,41);4-7,12,14,17-18,20,24,30H,2-3,8-11,13,15-16H2,1H3,(H,31,33,34);1,6,8-11,14-15,18,24,32H,4-5,7,12-13,16-17H2,2H3,(H,30,33,34);3-8,11,14-15,17,22,27,29H,1-2,9-10,12-13,16H2,(H,28,30,31)
• InChIKey: MBAAYODXVKRBQK-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 362.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2181.22
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 159514520) is 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2ncsc2C2=CCCC2)c1=O.CN1CCOC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5scnc5C5CCNC5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(Cc3sccc3C3CCOCC3)c2=O)c(Cl)c1.O=c1ccc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n1Cc1ccsc1C1CC1.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is MBAAYODXVKRBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37ClN6O2S.C29H33N7O2S.C29H29N7OS.C26H28N6OS/c1-22-4-9-29(31(36)17-22)30-18-24-19-38-35(40-26-7-5-25(6-8-26)39-27-3-2-13-37-20-27)41-33(24)42(34(30)43)21-32-28(12-16-45-32)23-10-14-44-15-11-23;1-35-10-11-38-24(15-35)19-4-6-22(7-5-19)33-29-31-14-21-12-23(18-2-3-18)28(37)36(27(21)34-29)16-25-26(32-17-39-25)20-8-9-30-13-20;1-3-19-14-21-15-30-29(33-23-10-8-22(9-11-23)32-24-12-13-35(2)16-24)34-27(21)36(28(19)37)17-25-26(38-18-31-25)20-6-4-5-7-20;33-23-8-3-18-15-28-26(30-21-6-4-20(5-7-21)29-22-9-12-27-13-10-22)31-25(18)32(23)16-19-11-14-34-24(19)17-1-2-17/h4-9,12,16-19,23,27,37,39H,2-3,10-11,13-15,20-21H2,1H3,(H,38,40,41);4-7,12,14,17-18,20,24,30H,2-3,8-11,13,15-16H2,1H3,(H,31,33,34);1,6,8-11,14-15,18,24,32H,4-5,7,12-13,16-17H2,2H3,(H,30,33,34);3-8,11,14-15,17,22,27,29H,1-2,9-10,12-13,16H2,(H,28,30,31).

What are the key properties of 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2181.22 g/mol, XLogP of 20.72, 29 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)thiophen-2-yl]methyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methyl]-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(4-pyrrolidin-3-yl-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylthiophen-3-yl)methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159514520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).