1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate

C₁₃₁H₁₃₂F₂N₁₄O₁₂ — CID 157324557

About 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate

1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate (PubChem CID 157324557) has the molecular formula C₁₃₁H₁₃₂F₂N₁₄O₁₂ and a molecular weight of 2132.58 g/mol. Its IUPAC name is 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate
• PubChem CID: 157324557
• Molecular Formula: C₁₃₁H₁₃₂F₂N₁₄O₁₂
• Molecular Weight: 2132.58 g/mol
• Exact Mass: 2131.01
• IUPAC Name: 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate
• SMILES: CC(C)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.CC(C)OC(=O)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.CCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.CN1CCc2c(c3cc(F)c(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.Cn1c2c(c3cc(F)c(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCC2
• InChI: InChI=1S/C28H29N3O4.C27H29N3O2.C26H27N3O2.C25H24FN3O2.C25H23FN2O2/c1-19(2)35-28(33)30-13-12-24-23-10-9-21(15-25(23)29(3)26(24)17-30)31-14-11-22(16-27(31)32)34-18-20-7-5-4-6-8-20;1-19(2)29-13-12-24-23-10-9-21(15-25(23)28(3)26(24)17-29)30-14-11-22(16-27(30)31)32-18-20-7-5-4-6-8-20;1-3-28-13-12-23-22-10-9-20(15-24(22)27(2)25(23)17-28)29-14-11-21(16-26(29)30)31-18-19-7-5-4-6-8-19;1-27-10-9-22-20(15-27)19-13-21(26)24(14-23(19)28(22)2)29-11-8-18(12-25(29)30)31-16-17-6-4-3-5-7-17;1-27-22-10-6-5-9-19(22)20-14-21(26)24(15-23(20)27)28-12-11-18(13-25(28)29)30-16-17-7-3-2-4-8-17/h4-11,14-16,19H,12-13,17-18H2,1-3H3;4-11,14-16,19H,12-13,17-18H2,1-3H3;4-11,14-16H,3,12-13,17-18H2,1-2H3;3-8,11-14H,9-10,15-16H2,1-2H3;2-4,7-8,11-15H,5-6,9-10,16H2,1H3
• InChIKey: BEOFENAMHUPFRW-UHFFFAOYSA-N
• XLogP: 22.73
• TPSA: 220.06 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2132.58
LogP ≤ 5	22.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate?

The IUPAC name of 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate (CID 157324557) is 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate.

What is the SMILES notation for 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate?

The canonical SMILES for 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate is CC(C)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.CC(C)OC(=O)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.CCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.CN1CCc2c(c3cc(F)c(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.Cn1c2c(c3cc(F)c(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCC2.

What is the InChIKey of 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate?

The InChIKey is BEOFENAMHUPFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4.C27H29N3O2.C26H27N3O2.C25H24FN3O2.C25H23FN2O2/c1-19(2)35-28(33)30-13-12-24-23-10-9-21(15-25(23)29(3)26(24)17-30)31-14-11-22(16-27(31)32)34-18-20-7-5-4-6-8-20;1-19(2)29-13-12-24-23-10-9-21(15-25(23)28(3)26(24)17-29)30-14-11-22(16-27(30)31)32-18-20-7-5-4-6-8-20;1-3-28-13-12-23-22-10-9-20(15-24(22)27(2)25(23)17-28)29-14-11-21(16-26(29)30)31-18-19-7-5-4-6-8-19;1-27-10-9-22-20(15-27)19-13-21(26)24(14-23(19)28(22)2)29-11-8-18(12-25(29)30)31-16-17-6-4-3-5-7-17;1-27-22-10-6-5-9-19(22)20-14-21(26)24(15-23(20)27)28-12-11-18(13-25(28)29)30-16-17-7-3-2-4-8-17/h4-11,14-16,19H,12-13,17-18H2,1-3H3;4-11,14-16,19H,12-13,17-18H2,1-3H3;4-11,14-16H,3,12-13,17-18H2,1-2H3;3-8,11-14H,9-10,15-16H2,1-2H3;2-4,7-8,11-15H,5-6,9-10,16H2,1H3.

What are the key properties of 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate?

1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate has a molecular weight of 2132.58 g/mol, XLogP of 22.73, 23 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(8-fluoro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-(3-fluoro-9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one;1-(9-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;propan-2-yl 9-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 157324557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157324557 — identifiers, structure, computed properties (public domain)

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