6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C80H84N16O11S3 — CID 159684445

About 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159684445) has the molecular formula C80H84N16O11S3 and a molecular weight of 1541.85 g/mol. Its IUPAC name is 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159684445
• Molecular Formula: C80H84N16O11S3
• Molecular Weight: 1541.85 g/mol
• Exact Mass: 1540.57
• IUPAC Name: 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2occc2S(=O)C(C)C)c1=O.COCCS(=O)(=O)c1occc1Cn1c(=O)c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CS(=O)(=O)n1cccc1Cn1c(=O)ccc2cnc(Nc3ccc(C4CCNC4)cc3)nc21
• InChI: InChI=1S/C29H33N5O5S.C28H27N5O3S.C23H24N6O3S/c1-38-14-15-40(36,37)28-22(10-13-39-28)18-34-26-23(16-25(27(34)35)21-2-3-21)17-31-29(33-26)32-24-6-4-19(5-7-24)20-8-11-30-12-9-20;1-4-19-15-22-16-30-28(31-23-7-5-20(6-8-23)21-9-12-29-13-10-21)32-26(22)33(27(19)34)17-24-25(11-14-36-24)37(35)18(2)3;1-33(31,32)29-12-2-3-20(29)15-28-21(30)9-6-18-14-25-23(27-22(18)28)26-19-7-4-16(5-8-19)17-10-11-24-13-17/h4-7,10,13,16-17,20-21,30H,2-3,8-9,11-12,14-15,18H2,1H3,(H,31,32,33);1,5-9,11,14-16,18,29H,10,12-13,17H2,2-3H3,(H,30,31,32);2-9,12,14,17,24H,10-11,13,15H2,1H3,(H,25,26,27)
• InChIKey: MVPMNTSEXQRKJQ-UHFFFAOYSA-N
• XLogP: 10.26
• TPSA: 341.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1541.85
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 159684445) is 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2occc2S(=O)C(C)C)c1=O.COCCS(=O)(=O)c1occc1Cn1c(=O)c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CS(=O)(=O)n1cccc1Cn1c(=O)ccc2cnc(Nc3ccc(C4CCNC4)cc3)nc21.

What is the InChIKey of 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is MVPMNTSEXQRKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O5S.C28H27N5O3S.C23H24N6O3S/c1-38-14-15-40(36,37)28-22(10-13-39-28)18-34-26-23(16-25(27(34)35)21-2-3-21)17-31-29(33-26)32-24-6-4-19(5-7-24)20-8-11-30-12-9-20;1-4-19-15-22-16-30-28(31-23-7-5-20(6-8-23)21-9-12-29-13-10-21)32-26(22)33(27(19)34)17-24-25(11-14-36-24)37(35)18(2)3;1-33(31,32)29-12-2-3-20(29)15-28-21(30)9-6-18-14-25-23(27-22(18)28)26-19-7-4-16(5-8-19)17-10-11-24-13-17/h4-7,10,13,16-17,20-21,30H,2-3,8-9,11-12,14-15,18H2,1H3,(H,31,32,33);1,5-9,11,14-16,18,29H,10,12-13,17H2,2-3H3,(H,30,31,32);2-9,12,14,17,24H,10-11,13,15H2,1H3,(H,25,26,27).

What are the key properties of 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1541.85 g/mol, XLogP of 10.26, 23 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159684445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).