6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C133H141F3N28O15S5 — CID 160862244

About 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160862244) has the molecular formula C133H141F3N28O15S5 and a molecular weight of 2589.10 g/mol. Its IUPAC name is 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160862244
• Molecular Formula: C133H141F3N28O15S5
• Molecular Weight: 2589.10 g/mol
• Exact Mass: 2586.97
• IUPAC Name: 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2ccnn2S(=O)(=O)C(C)C)c1=O)C1CCOCC1.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(Cc2occc2S(=O)CC(F)(F)F)c1=O.CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ccoc5S(=O)(=O)c5nccs5)c4n3)cc2)CC1.CN1CCCCC1c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2cccn2S(=O)(=O)c2ccncc2)c1=O
• InChI: InChI=1S/C34H32F3N5O3S.C34H33N7O4S2.C33H36N8O4S.C32H40N8O4S/c1-22(23-7-4-3-5-8-23)28-17-26-18-38-33(39-27-12-10-24(11-13-27)25-9-6-15-41(2)19-25)40-31(26)42(32(28)43)20-29-30(14-16-45-29)46(44)21-34(35,36)37;1-39-16-12-24(13-17-39)23-8-10-27(11-9-23)37-33-36-21-26-20-29(40(2)28-6-4-3-5-7-28)31(42)41(30(26)38-33)22-25-14-18-45-32(25)47(43,44)34-35-15-19-46-34;1-39-16-3-2-6-29(39)28-19-24-20-36-33(37-25-9-7-23(8-10-25)30-21-35-15-18-45-30)38-31(24)40(32(28)42)22-26-5-4-17-41(26)46(43,44)27-11-13-34-14-12-27;1-21(2)45(42,43)40-27(7-10-35-40)20-39-30-25(18-28(31(39)41)23(4)24-8-15-44-16-9-24)19-34-32(37-30)36-26-5-6-29(22(3)17-26)38-13-11-33-12-14-38/h3-5,7-8,10-14,16-18,25H,1,6,9,15,19-21H2,2H3,(H,38,39,40);3-11,14-15,18-21,24H,12-13,16-17,22H2,1-2H3,(H,36,37,38);4-5,7-14,17,19-20,29-30,35H,2-3,6,15-16,18,21-22H2,1H3,(H,36,37,38);5-7,10,17-19,21,24,33H,4,8-9,11-16,20H2,1-3H3,(H,34,36,37)
• InChIKey: SKQIRRWIPFQWTA-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 492.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 35
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2589.10
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 160862244) is 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2ccnn2S(=O)(=O)C(C)C)c1=O)C1CCOCC1.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(Cc2occc2S(=O)CC(F)(F)F)c1=O.CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ccoc5S(=O)(=O)c5nccs5)c4n3)cc2)CC1.CN1CCCCC1c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2cccn2S(=O)(=O)c2ccncc2)c1=O.

What is the InChIKey of 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SKQIRRWIPFQWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N5O3S.C34H33N7O4S2.C33H36N8O4S.C32H40N8O4S/c1-22(23-7-4-3-5-8-23)28-17-26-18-38-33(39-27-12-10-24(11-13-27)25-9-6-15-41(2)19-25)40-31(26)42(32(28)43)20-29-30(14-16-45-29)46(44)21-34(35,36)37;1-39-16-12-24(13-17-39)23-8-10-27(11-9-23)37-33-36-21-26-20-29(40(2)28-6-4-3-5-7-28)31(42)41(30(26)38-33)22-25-14-18-45-32(25)47(43,44)34-35-15-19-46-34;1-39-16-3-2-6-29(39)28-19-24-20-36-33(37-25-9-7-23(8-10-25)30-21-35-15-18-45-30)38-31(24)40(32(28)42)22-26-5-4-17-41(26)46(43,44)27-11-13-34-14-12-27;1-21(2)45(42,43)40-27(7-10-35-40)20-39-30-25(18-28(31(39)41)23(4)24-8-15-44-16-9-24)19-34-32(37-30)36-26-5-6-29(22(3)17-26)38-13-11-33-12-14-38/h3-5,7-8,10-14,16-18,25H,1,6,9,15,19-21H2,2H3,(H,38,39,40);3-11,14-15,18-21,24H,12-13,16-17,22H2,1-2H3,(H,36,37,38);4-5,7-14,17,19-20,29-30,35H,2-3,6,15-16,18,21-22H2,1H3,(H,36,37,38);5-7,10,17-19,21,24,33H,4,8-9,11-16,20H2,1-3H3,(H,34,36,37).

What are the key properties of 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2589.10 g/mol, XLogP of 20.12, 35 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[[2-(1,3-thiazol-2-ylsulfonyl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]-8-[(2-propan-2-ylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(2,2,2-trifluoroethylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)-8-[(1-pyridin-4-ylsulfonylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160862244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).