2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C114H117N23O14 — CID 158491197

About 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 158491197) has the molecular formula C114H117N23O14 and a molecular weight of 2033.34 g/mol. Its IUPAC name is 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 158491197
• Molecular Formula: C114H117N23O14
• Molecular Weight: 2033.34 g/mol
• Exact Mass: 2031.92
• IUPAC Name: 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccc(CCN5CCC5)cc4)nc32)cc1.COCCOc1cccc(Nc2ncc3c(=O)c(C(=O)NOC)cn(-c4ccc5c(c4)CCC5)c3n2)c1.CONC(=O)c1cn(-c2ccc3c(c2)C=CC3)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCC4)cc3)ncc2c1=O
• InChI: InChI=1S/C30H30N6O3.C29H30N6O3.C28H30N6O3.C27H27N5O5/c1-35-14-12-21(13-15-35)20-6-9-23(10-7-20)32-30-31-17-25-27(37)26(29(38)34-39-2)18-36(28(25)33-30)24-11-8-19-4-3-5-22(19)16-24;1-38-33-28(37)25-18-35(23-11-8-20-4-2-5-21(20)16-23)27-24(26(25)36)17-30-29(32-27)31-22-9-6-19(7-10-22)12-15-34-13-3-14-34;1-3-19-7-11-22(12-8-19)34-18-24(27(36)32-37-2)25(35)23-17-29-28(31-26(23)34)30-21-9-5-20(6-10-21)13-16-33-14-4-15-33;1-35-11-12-37-21-8-4-7-19(14-21)29-27-28-15-22-24(33)23(26(34)31-36-2)16-32(25(22)30-27)20-10-9-17-5-3-6-18(17)13-20/h3,5-11,16-18,21H,4,12-15H2,1-2H3,(H,34,38)(H,31,32,33);6-11,16-18H,2-5,12-15H2,1H3,(H,33,37)(H,30,31,32);5-12,17-18H,3-4,13-16H2,1-2H3,(H,32,36)(H,29,30,31);4,7-10,13-16H,3,5-6,11-12H2,1-2H3,(H,31,34)(H,28,29,30)
• InChIKey: HISHLQHLWXLUIP-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 420.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2033.34
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

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 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 158491197) is 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccc(CCN5CCC5)cc4)nc32)cc1.COCCOc1cccc(Nc2ncc3c(=O)c(C(=O)NOC)cn(-c4ccc5c(c4)CCC5)c3n2)c1.CONC(=O)c1cn(-c2ccc3c(c2)C=CC3)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCC4)cc3)ncc2c1=O.

What is the InChIKey of 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is HISHLQHLWXLUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O3.C29H30N6O3.C28H30N6O3.C27H27N5O5/c1-35-14-12-21(13-15-35)20-6-9-23(10-7-20)32-30-31-17-25-27(37)26(29(38)34-39-2)18-36(28(25)33-30)24-11-8-19-4-3-5-22(19)16-24;1-38-33-28(37)25-18-35(23-11-8-20-4-2-5-21(20)16-23)27-24(26(25)36)17-30-29(32-27)31-22-9-6-19(7-10-22)12-15-34-13-3-14-34;1-3-19-7-11-22(12-8-19)34-18-24(27(36)32-37-2)25(35)23-17-29-28(31-26(23)34)30-21-9-5-20(6-10-21)13-16-33-14-4-15-33;1-35-11-12-37-21-8-4-7-19(14-21)29-27-28-15-22-24(33)23(26(34)31-36-2)16-32(25(22)30-27)20-10-9-17-5-3-6-18(17)13-20/h3,5-11,16-18,21H,4,12-15H2,1-2H3,(H,34,38)(H,31,32,33);6-11,16-18H,2-5,12-15H2,1H3,(H,33,37)(H,30,31,32);5-12,17-18H,3-4,13-16H2,1-2H3,(H,32,36)(H,29,30,31);4,7-10,13-16H,3,5-6,11-12H2,1-2H3,(H,31,34)(H,28,29,30).

What are the key properties of 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 2033.34 g/mol, XLogP of 14.70, 32 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 158491197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).