2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide

C89H92N18O13S — CID 158211103

About 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide

2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 158211103) has the molecular formula C89H92N18O13S and a molecular weight of 1653.89 g/mol. Its IUPAC name is 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 158211103
• Molecular Formula: C89H92N18O13S
• Molecular Weight: 1653.89 g/mol
• Exact Mass: 1652.68
• IUPAC Name: 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCN(C(C)=O)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCNC(=O)C4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCS(C)(=O)=O)cc3)ncc2c1=O
• InChI: InChI=1S/C32H34N6O4.C30H31N7O4.C27H27N5O5S/c1-3-42-36-31(41)28-19-38(26-12-9-21-5-4-6-24(21)17-26)30-27(29(28)40)18-33-32(35-30)34-25-10-7-22(8-11-25)23-13-15-37(16-14-23)20(2)39;1-41-35-29(40)25-17-37(23-10-7-20-3-2-4-21(20)15-23)28-24(27(25)39)16-32-30(34-28)33-22-8-5-19(6-9-22)11-13-36-14-12-31-26(38)18-36;1-37-31-26(34)23-16-32(21-11-8-18-4-3-5-19(18)14-21)25-22(24(23)33)15-28-27(30-25)29-20-9-6-17(7-10-20)12-13-38(2,35)36/h7-12,17-19,23H,3-6,13-16H2,1-2H3,(H,36,41)(H,33,34,35);5-10,15-17H,2-4,11-14,18H2,1H3,(H,31,38)(H,35,40)(H,32,33,34);6-11,14-16H,3-5,12-13H2,1-2H3,(H,31,34)(H,28,29,30)
• InChIKey: GCBYFPBZYJRGDG-UHFFFAOYSA-N
• XLogP: 9.59
• TPSA: 381.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1653.89
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 158211103) is 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide is CCONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCN(C(C)=O)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCNC(=O)C4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCS(C)(=O)=O)cc3)ncc2c1=O.

What is the InChIKey of 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is GCBYFPBZYJRGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4.C30H31N7O4.C27H27N5O5S/c1-3-42-36-31(41)28-19-38(26-12-9-21-5-4-6-24(21)17-26)30-27(29(28)40)18-33-32(35-30)34-25-10-7-22(8-11-25)23-13-15-37(16-14-23)20(2)39;1-41-35-29(40)25-17-37(23-10-7-20-3-2-4-21(20)15-23)28-24(27(25)39)16-32-30(34-28)33-22-8-5-19(6-9-22)11-13-36-14-12-31-26(38)18-36;1-37-31-26(34)23-16-32(21-11-8-18-4-3-5-19(18)14-21)25-22(24(23)33)15-28-27(30-25)29-20-9-6-17(7-10-20)12-13-38(2,35)36/h7-12,17-19,23H,3-6,13-16H2,1-2H3,(H,36,41)(H,33,34,35);5-10,15-17H,2-4,11-14,18H2,1H3,(H,31,38)(H,35,40)(H,32,33,34);6-11,14-16H,3-5,12-13H2,1-2H3,(H,31,34)(H,28,29,30).

What are the key properties of 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide?

2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1653.89 g/mol, XLogP of 9.59, 23 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1-acetylpiperidin-4-yl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 158211103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).