6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C112H127N29O15S5 — CID 161487546

About 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161487546) has the molecular formula C112H127N29O15S5 and a molecular weight of 2279.77 g/mol. Its IUPAC name is 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161487546
• Molecular Formula: C112H127N29O15S5
• Molecular Weight: 2279.77 g/mol
• Exact Mass: 2277.87
• IUPAC Name: 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccn2S(=O)(=O)C(C)C)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2cnoc2S(=O)(=O)CCOC)c1=O)C(C)C.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2ccnn2S(C)(=O)=O)c1=O.O=c1c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1cncn1S(=O)(=O)c1nccs1
• InChI: InChI=1S/C30H35N7O3S.C29H35N7O5S.C28H28N8O3S2.C25H29N7O4S/c1-19(2)41(39,40)37-14-13-32-27(37)18-36-28-24(15-26(29(36)38)20(3)21-6-7-21)17-33-30(35-28)34-25-10-8-22(9-11-25)23-5-4-12-31-16-23;1-19(2)20(3)25-15-21-16-31-29(33-23-5-7-24(8-6-23)35-11-9-30-10-12-35)34-26(21)36(27(25)37)18-22-17-32-41-28(22)42(38,39)14-13-40-4;37-26-24(20-1-2-20)13-21-14-32-27(33-22-5-3-18(4-6-22)19-7-9-29-10-8-19)34-25(21)35(26)16-23-15-30-17-36(23)41(38,39)28-31-11-12-40-28;1-4-36-22-13-19-14-26-25(28-20-7-5-17(6-8-20)18-10-12-30(2)15-18)29-23(19)31(24(22)33)16-21-9-11-27-32(21)37(3,34)35/h8-11,13-15,17,19,21,23,31H,3-7,12,16,18H2,1-2H3,(H,33,34,35);5-8,15-17,19,30H,3,9-14,18H2,1-2,4H3,(H,31,33,34);3-6,11-15,17,19-20,29H,1-2,7-10,16H2,(H,32,33,34);5-9,11,13-14,18H,4,10,12,15-16H2,1-3H3,(H,26,28,29)
• InChIKey: WFEBDYIWYATZKB-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 529.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 36
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2279.77
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

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-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 161487546) is 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccn2S(=O)(=O)C(C)C)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2cnoc2S(=O)(=O)CCOC)c1=O)C(C)C.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2ccnn2S(C)(=O)=O)c1=O.O=c1c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1cncn1S(=O)(=O)c1nccs1.

What is the InChIKey of 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is WFEBDYIWYATZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O3S.C29H35N7O5S.C28H28N8O3S2.C25H29N7O4S/c1-19(2)41(39,40)37-14-13-32-27(37)18-36-28-24(15-26(29(36)38)20(3)21-6-7-21)17-33-30(35-28)34-25-10-8-22(9-11-25)23-5-4-12-31-16-23;1-19(2)20(3)25-15-21-16-31-29(33-23-5-7-24(8-6-23)35-11-9-30-10-12-35)34-26(21)36(27(25)37)18-22-17-32-41-28(22)42(38,39)14-13-40-4;37-26-24(20-1-2-20)13-21-14-32-27(33-22-5-3-18(4-6-22)19-7-9-29-10-8-19)34-25(21)35(26)16-23-15-30-17-36(23)41(38,39)28-31-11-12-40-28;1-4-36-22-13-19-14-26-25(28-20-7-5-17(6-8-20)18-10-12-30(2)15-18)29-23(19)31(24(22)33)16-21-9-11-27-32(21)37(3,34)35/h8-11,13-15,17,19,21,23,31H,3-7,12,16,18H2,1-2H3,(H,33,34,35);5-8,15-17,19,30H,3,9-14,18H2,1-2,4H3,(H,31,33,34);3-6,11-15,17,19-20,29H,1-2,7-10,16H2,(H,32,33,34);5-9,11,13-14,18H,4,10,12,15-16H2,1-3H3,(H,26,28,29).

What are the key properties of 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2279.77 g/mol, XLogP of 13.55, 36 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopropylethenyl)-2-(4-piperidin-3-ylanilino)-8-[(1-propan-2-ylsulfonylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-ylsulfonyl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[(2-methylsulfonylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(2-methoxyethylsulfonyl)-1,2-oxazol-4-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161487546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).