8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C128H148N32O5 — CID 159987944

About 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159987944) has the molecular formula C128H148N32O5 and a molecular weight of 2214.81 g/mol. Its IUPAC name is 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159987944
• Molecular Formula: C128H148N32O5
• Molecular Weight: 2214.81 g/mol
• Exact Mass: 2213.23
• IUPAC Name: 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2cncnc2C2=CCCC2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2nccnc2C2CCNC2)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2ccn(C)c2-c2ccncc2)c1=O.CCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(Cc2cnncc2C2CC2)c1=O
• InChI: InChI=1S/C34H40N8O.C33H36N8O.C32H39N9O.C29H33N7O2/c1-4-23(5-2)30-20-26-21-37-34(39-28-8-6-27(7-9-28)38-29-12-17-36-18-13-29)40-32(26)42(33(30)43)22-25-14-19-41(3)31(25)24-10-15-35-16-11-24;1-22(23-7-8-23)29-17-25-19-35-33(37-27-9-11-28(12-10-27)40-15-13-39(2)14-16-40)38-31(25)41(32(29)42)20-26-18-34-21-36-30(26)24-5-3-4-6-24;1-20(2)22(4)26-16-24-18-37-32(38-25-5-6-28(21(3)15-25)40-13-11-33-12-14-40)39-30(24)41(31(26)42)19-27-29(36-10-9-35-27)23-7-8-34-17-23;1-3-38-26-14-22-15-30-29(33-24-8-6-19(7-9-24)20-10-12-35(2)13-11-20)34-27(22)36(28(26)37)18-23-16-31-32-17-25(23)21-4-5-21/h6-11,14-16,19-21,23,29,36,38H,4-5,12-13,17-18,22H2,1-3H3,(H,37,39,40);5,9-12,17-19,21,23H,1,3-4,6-8,13-16,20H2,2H3,(H,35,37,38);5-6,9-10,15-16,18,20,23,33-34H,4,7-8,11-14,17,19H2,1-3H3,(H,37,38,39);6-9,14-17,20-21H,3-5,10-13,18H2,1-2H3,(H,30,33,34)
• InChIKey: OGOOVNPAKPJHJY-UHFFFAOYSA-N
• XLogP: 19.46
• TPSA: 404.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 34
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2214.81
LogP ≤ 5	19.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 159987944) is 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2cncnc2C2=CCCC2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(Cc2nccnc2C2CCNC2)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2ccn(C)c2-c2ccncc2)c1=O.CCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(Cc2cnncc2C2CC2)c1=O.

What is the InChIKey of 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is OGOOVNPAKPJHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O.C33H36N8O.C32H39N9O.C29H33N7O2/c1-4-23(5-2)30-20-26-21-37-34(39-28-8-6-27(7-9-28)38-29-12-17-36-18-13-29)40-32(26)42(33(30)43)22-25-14-19-41(3)31(25)24-10-15-35-16-11-24;1-22(23-7-8-23)29-17-25-19-35-33(37-27-9-11-28(12-10-27)40-15-13-39(2)14-16-40)38-31(25)41(32(29)42)20-26-18-34-21-36-30(26)24-5-3-4-6-24;1-20(2)22(4)26-16-24-18-37-32(38-25-5-6-28(21(3)15-25)40-13-11-33-12-14-40)39-30(24)41(31(26)42)19-27-29(36-10-9-35-27)23-7-8-34-17-23;1-3-38-26-14-22-15-30-29(33-24-8-6-19(7-9-24)20-10-12-35(2)13-11-20)34-27(22)36(28(26)37)18-23-16-31-32-17-25(23)21-4-5-21/h6-11,14-16,19-21,23,29,36,38H,4-5,12-13,17-18,22H2,1-3H3,(H,37,39,40);5,9-12,17-19,21,23H,1,3-4,6-8,13-16,20H2,2H3,(H,35,37,38);5-6,9-10,15-16,18,20,23,33-34H,4,7-8,11-14,17,19H2,1-3H3,(H,37,38,39);6-9,14-17,20-21H,3-5,10-13,18H2,1-2H3,(H,30,33,34).

What are the key properties of 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2214.81 g/mol, XLogP of 19.46, 34 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[4-(cyclopenten-1-yl)pyrimidin-5-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyrrolidin-3-ylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methyl-2-pyridin-4-ylpyrrol-3-yl)methyl]-6-pentan-3-yl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159987944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).