8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C107H118Cl2FN13O2 — CID 157272471

About 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 157272471) has the molecular formula C107H118Cl2FN13O2 and a molecular weight of 1708.11 g/mol. Its IUPAC name is 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 157272471
• Molecular Formula: C107H118Cl2FN13O2
• Molecular Weight: 1708.11 g/mol
• Exact Mass: 1705.89
• IUPAC Name: 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C=C(Cc1cc(C)cc2c3c(n(C)c12)CCN(C)C3)c1ccc(F)cc1.CN1CCc2[nH]c3c(CC(=O)N4CCCCC4)cc(Cl)cc3c2C1.Cc1cc(C#Cc2ccncc2)c2c(c1)c1c(n2C)CCN(C)C1.Cc1cc(CC(C)(O)c2ccccc2)c2c(c1)c1c(n2C)CCN(C)C1.Cc1ccc(C#Cc2cc(Cl)cc3c4c(n(C)c23)CCN(C)C4)cn1
• InChI: InChI=1S/C23H25FN2.C23H28N2O.C21H20ClN3.C21H21N3.C19H24ClN3O/c1-15-11-18(13-16(2)17-5-7-19(24)8-6-17)23-20(12-15)21-14-25(3)10-9-22(21)26(23)4;1-16-12-17(14-23(2,26)18-8-6-5-7-9-18)22-19(13-16)20-15-24(3)11-10-21(20)25(22)4;1-14-4-5-15(12-23-14)6-7-16-10-17(22)11-18-19-13-24(2)9-8-20(19)25(3)21(16)18;1-15-12-17(5-4-16-6-9-22-10-7-16)21-18(13-15)19-14-23(2)11-8-20(19)24(21)3;1-22-8-5-17-16(12-22)15-11-14(20)9-13(19(15)21-17)10-18(24)23-6-3-2-4-7-23/h5-8,11-12H,2,9-10,13-14H2,1,3-4H3;5-9,12-13,26H,10-11,14-15H2,1-4H3;4-5,10-12H,8-9,13H2,1-3H3;6-7,9-10,12-13H,8,11,14H2,1-3H3;9,11,21H,2-8,10,12H2,1H3
• InChIKey: AYRWZKDRWBMTAH-UHFFFAOYSA-N
• XLogP: 19.35
• TPSA: 118.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1708.11
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 157272471) is 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is C=C(Cc1cc(C)cc2c3c(n(C)c12)CCN(C)C3)c1ccc(F)cc1.CN1CCc2[nH]c3c(CC(=O)N4CCCCC4)cc(Cl)cc3c2C1.Cc1cc(C#Cc2ccncc2)c2c(c1)c1c(n2C)CCN(C)C1.Cc1cc(CC(C)(O)c2ccccc2)c2c(c1)c1c(n2C)CCN(C)C1.Cc1ccc(C#Cc2cc(Cl)cc3c4c(n(C)c23)CCN(C)C4)cn1.

What is the InChIKey of 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is AYRWZKDRWBMTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2.C23H28N2O.C21H20ClN3.C21H21N3.C19H24ClN3O/c1-15-11-18(13-16(2)17-5-7-19(24)8-6-17)23-20(12-15)21-14-25(3)10-9-22(21)26(23)4;1-16-12-17(14-23(2,26)18-8-6-5-7-9-18)22-19(13-16)20-15-24(3)11-10-21(20)25(22)4;1-14-4-5-15(12-23-14)6-7-16-10-17(22)11-18-19-13-24(2)9-8-20(19)25(3)21(16)18;1-15-12-17(5-4-16-6-9-22-10-7-16)21-18(13-15)19-14-23(2)11-8-20(19)24(21)3;1-22-8-5-17-16(12-22)15-11-14(20)9-13(19(15)21-17)10-18(24)23-6-3-2-4-7-23/h5-8,11-12H,2,9-10,13-14H2,1,3-4H3;5-9,12-13,26H,10-11,14-15H2,1-4H3;4-5,10-12H,8-9,13H2,1-3H3;6-7,9-10,12-13H,8,11,14H2,1-3H3;9,11,21H,2-8,10,12H2,1H3.

What are the key properties of 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1708.11 g/mol, XLogP of 19.35, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2-(8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-piperidin-1-ylethanone;6-[2-(4-fluorophenyl)prop-2-enyl]-2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2-phenyl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-(2-pyridin-4-ylethynyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 157272471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).