8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate

C96H106F3N21O11 — CID 158322752

About 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate

8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate (PubChem CID 158322752) has the molecular formula C96H106F3N21O11 and a molecular weight of 1787.03 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate
• PubChem CID: 158322752
• Molecular Formula: C96H106F3N21O11
• Molecular Weight: 1787.03 g/mol
• Exact Mass: 1785.83
• IUPAC Name: 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate
• SMILES: CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCCN4CCN(C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C(=O)OC)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(CC(F)(F)F)CC4)cc3)ncc2c1=O
• InChI: InChI=1S/C32H34F3N7O3.C32H35N7O5.C32H37N7O3/c1-45-39-30(44)27-19-42(25-10-7-22-3-2-4-23(22)17-25)29-26(28(27)43)18-36-31(38-29)37-24-8-5-21(6-9-24)11-12-40-13-15-41(16-14-40)20-32(33,34)35;1-43-32(42)38-16-14-37(15-17-38)13-12-21-6-9-24(10-7-21)34-31-33-19-26-28(40)27(30(41)36-44-2)20-39(29(26)35-31)25-11-8-22-4-3-5-23(22)18-25;1-37-15-17-38(18-16-37)14-4-5-22-8-11-25(12-9-22)34-32-33-20-27-29(40)28(31(41)36-42-2)21-39(30(27)35-32)26-13-10-23-6-3-7-24(23)19-26/h5-10,17-19H,2-4,11-16,20H2,1H3,(H,39,44)(H,36,37,38);6-11,18-20H,3-5,12-17H2,1-2H3,(H,36,41)(H,33,34,35);8-13,19-21H,3-7,14-18H2,1-2H3,(H,36,41)(H,33,34,35)
• InChIKey: GPAXZAVXKCQTAH-UHFFFAOYSA-N
• XLogP: 10.74
• TPSA: 340.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1787.03
LogP ≤ 5	10.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate?

The IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate (CID 158322752) is 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate.

What is the SMILES notation for 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate?

The canonical SMILES for 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate is CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCCN4CCN(C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C(=O)OC)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(CC(F)(F)F)CC4)cc3)ncc2c1=O.

What is the InChIKey of 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate?

The InChIKey is GPAXZAVXKCQTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N7O3.C32H35N7O5.C32H37N7O3/c1-45-39-30(44)27-19-42(25-10-7-22-3-2-4-23(22)17-25)29-26(28(27)43)18-36-31(38-29)37-24-8-5-21(6-9-24)11-12-40-13-15-41(16-14-40)20-32(33,34)35;1-43-32(42)38-16-14-37(15-17-38)13-12-21-6-9-24(10-7-21)34-31-33-19-26-28(40)27(30(41)36-44-2)20-39(29(26)35-31)25-11-8-22-4-3-5-23(22)18-25;1-37-15-17-38(18-16-37)14-4-5-22-8-11-25(12-9-22)34-32-33-20-27-29(40)28(31(41)36-42-2)21-39(30(27)35-32)26-13-10-23-6-3-7-24(23)19-26/h5-10,17-19H,2-4,11-16,20H2,1H3,(H,39,44)(H,36,37,38);6-11,18-20H,3-5,12-17H2,1-2H3,(H,36,41)(H,33,34,35);8-13,19-21H,3-7,14-18H2,1-2H3,(H,36,41)(H,33,34,35).

What are the key properties of 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate?

8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate has a molecular weight of 1787.03 g/mol, XLogP of 10.74, 26 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[3-(4-methylpiperazin-1-yl)propyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;methyl 4-[2-[4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 158322752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).