8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C153H164N44O9S3 — CID 158402105

About 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 158402105) has the molecular formula C153H164N44O9S3 and a molecular weight of 2859.49 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158402105
• Molecular Formula: C153H164N44O9S3
• Molecular Weight: 2859.49 g/mol
• Exact Mass: 2857.29
• IUPAC Name: 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2cnc(-c3nnn(C)n3)cc2C)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.Cc1cc(-c2ccnn2C)cnc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O.Cc1cnc(-c2ccsc2)nc1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(CC2CC2)c1=O.Cc1nc(-c2nccs2)ncc1-c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C2CCCC2)c1=O.Cc1nc(-c2ncnn2C)ccc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C(C)C)c1=O
• InChI: InChI=1S/C33H38N10O3S.C32H34N8OS.C32H33N7OS.C29H31N9O2.C27H28N10O2/c1-21-16-22(29-9-13-37-41(29)2)18-35-30(21)28-17-23-19-36-33(39-25-6-4-24(5-7-25)38-26-8-12-34-20-26)40-31(23)43(32(28)44)27-10-14-42(15-11-27)47(3,45)46;1-20-27(19-34-28(36-20)30-33-13-16-42-30)26-17-23-18-35-32(38-29(23)40(31(26)41)25-5-3-4-6-25)37-24-9-7-21(8-10-24)22-11-14-39(2)15-12-22;1-20-15-33-29(24-11-13-41-19-24)36-28(20)27-14-25-16-34-32(37-30(25)39(31(27)40)17-21-5-6-21)35-26-9-7-22(8-10-26)23-4-3-12-38(2)18-23;1-17(2)38-26-20(13-23(28(38)39)22-9-10-24(34-18(22)3)27-32-16-33-37(27)4)14-31-29(36-26)35-21-7-5-19(6-8-21)25-15-30-11-12-40-25;1-4-37-25-17(12-21(26(37)38)22-15-29-23(11-16(22)2)24-33-35-36(3)34-24)13-30-27(32-25)31-18-5-7-19(8-6-18)39-20-9-10-28-14-20/h4-7,9,13,16-19,26-27,34,38H,8,10-12,14-15,20H2,1-3H3,(H,36,39,40);7-10,13,16-19,22,25H,3-6,11-12,14-15H2,1-2H3,(H,35,37,38);7-11,13-16,19,21,23H,3-6,12,17-18H2,1-2H3,(H,34,35,37);5-10,13-14,16-17,25,30H,11-12,15H2,1-4H3,(H,31,35,36);5-8,11-13,15,20,28H,4,9-10,14H2,1-3H3,(H,30,31,32)
• InChIKey: GYFQOAUNWCOHBY-UHFFFAOYSA-N
• XLogP: 23.07
• TPSA: 604.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 54
• Rotatable Bonds: 34
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2859.49
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 158402105) is 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2cnc(-c3nnn(C)n3)cc2C)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.Cc1cc(-c2ccnn2C)cnc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O.Cc1cnc(-c2ccsc2)nc1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(CC2CC2)c1=O.Cc1nc(-c2nccs2)ncc1-c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C2CCCC2)c1=O.Cc1nc(-c2ncnn2C)ccc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C(C)C)c1=O.

What is the InChIKey of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GYFQOAUNWCOHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N10O3S.C32H34N8OS.C32H33N7OS.C29H31N9O2.C27H28N10O2/c1-21-16-22(29-9-13-37-41(29)2)18-35-30(21)28-17-23-19-36-33(39-25-6-4-24(5-7-25)38-26-8-12-34-20-26)40-31(23)43(32(28)44)27-10-14-42(15-11-27)47(3,45)46;1-20-27(19-34-28(36-20)30-33-13-16-42-30)26-17-23-18-35-32(38-29(23)40(31(26)41)25-5-3-4-6-25)37-24-9-7-21(8-10-24)22-11-14-39(2)15-12-22;1-20-15-33-29(24-11-13-41-19-24)36-28(20)27-14-25-16-34-32(37-30(25)39(31(27)40)17-21-5-6-21)35-26-9-7-22(8-10-26)23-4-3-12-38(2)18-23;1-17(2)38-26-20(13-23(28(38)39)22-9-10-24(34-18(22)3)27-32-16-33-37(27)4)14-31-29(36-26)35-21-7-5-19(6-8-21)25-15-30-11-12-40-25;1-4-37-25-17(12-21(26(37)38)22-15-29-23(11-16(22)2)24-33-35-36(3)34-24)13-30-27(32-25)31-18-5-7-19(8-6-18)39-20-9-10-28-14-20/h4-7,9,13,16-19,26-27,34,38H,8,10-12,14-15,20H2,1-3H3,(H,36,39,40);7-10,13,16-19,22,25H,3-6,11-12,14-15H2,1-2H3,(H,35,37,38);7-11,13-16,19,21,23H,3-6,12,17-18H2,1-2H3,(H,34,35,37);5-10,13-14,16-17,25,30H,11-12,15H2,1-4H3,(H,31,35,36);5-8,11-13,15,20,28H,4,9-10,14H2,1-3H3,(H,30,31,32).

What are the key properties of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2859.49 g/mol, XLogP of 23.07, 34 rotatable bonds, 9 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158402105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).