8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide

C94H99N19O8S — CID 159204162

About 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide

8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 159204162) has the molecular formula C94H99N19O8S and a molecular weight of 1655.02 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 159204162
• Molecular Formula: C94H99N19O8S
• Molecular Weight: 1655.02 g/mol
• Exact Mass: 1653.76
• IUPAC Name: 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: COCCNC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2c1=O.O=C(Nc1nccs1)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2c1=O
• InChI: InChI=1S/C32H31N7O2S.C32H36N6O3.C30H32N6O3/c40-28-26-19-34-31(35-24-9-6-21(7-10-24)12-16-38-14-1-2-15-38)36-29(26)39(25-11-8-22-4-3-5-23(22)18-25)20-27(28)30(41)37-32-33-13-17-42-32;1-41-18-14-33-31(40)28-21-38(26-12-9-23-5-4-6-24(23)19-26)30-27(29(28)39)20-34-32(36-30)35-25-10-7-22(8-11-25)13-17-37-15-2-3-16-37;1-39-34-29(38)26-19-36(24-12-9-21-5-4-6-22(21)17-24)28-25(27(26)37)18-31-30(33-28)32-23-10-7-20(8-11-23)13-16-35-14-2-3-15-35/h6-11,13,17-20H,1-5,12,14-16H2,(H,33,37,41)(H,34,35,36);7-12,19-21H,2-6,13-18H2,1H3,(H,33,40)(H,34,35,36);7-12,17-19H,2-6,13-16H2,1H3,(H,34,38)(H,31,32,33)
• InChIKey: KPQVLKDJALBUBO-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 307.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1655.02
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 159204162) is 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide is COCCNC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2c1=O.O=C(Nc1nccs1)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2c1=O.

What is the InChIKey of 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is KPQVLKDJALBUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O2S.C32H36N6O3.C30H32N6O3/c40-28-26-19-34-31(35-24-9-6-21(7-10-24)12-16-38-14-1-2-15-38)36-29(26)39(25-11-8-22-4-3-5-23(22)18-25)20-27(28)30(41)37-32-33-13-17-42-32;1-41-18-14-33-31(40)28-21-38(26-12-9-23-5-4-6-24(23)19-26)30-27(29(28)39)20-34-32(36-30)35-25-10-7-22(8-11-25)13-17-37-15-2-3-16-37;1-39-34-29(38)26-19-36(24-12-9-21-5-4-6-22(21)17-24)28-25(27(26)37)18-31-30(33-28)32-23-10-7-20(8-11-23)13-16-35-14-2-3-15-35/h6-11,13,17-20H,1-5,12,14-16H2,(H,33,37,41)(H,34,35,36);7-12,19-21H,2-6,13-18H2,1H3,(H,33,40)(H,34,35,36);7-12,17-19H,2-6,13-16H2,1H3,(H,34,38)(H,31,32,33).

What are the key properties of 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide?

8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1655.02 g/mol, XLogP of 13.33, 26 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-methoxyethyl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]-N-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 159204162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).