6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol

C128H124ClN17O7 — CID 158469483

About 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol

6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol (PubChem CID 158469483) has the molecular formula C128H124ClN17O7 and a molecular weight of 2047.96 g/mol. Its IUPAC name is 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol.

Molecular Properties

• Compound Name: 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
• PubChem CID: 158469483
• Molecular Formula: C128H124ClN17O7
• Molecular Weight: 2047.96 g/mol
• Exact Mass: 2045.96
• IUPAC Name: 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
• SMILES: COc1ccc(C2NCCc3c2[nH]c2ccc(OC)cc32)cc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1.COc1ccc2c3c([nH]c2c1)C(c1ccccc1)NCC3.Clc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1.Oc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1.c1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4c2cccnc2)cc1
• InChI: InChI=1S/C23H21N3O.C19H20N2O2.2C18H18N2O.C17H17N3O.C17H16N2O.C16H14ClN3/c1-2-5-16(6-3-1)15-27-18-8-9-21-20(13-18)19-10-12-25-22(23(19)26-21)17-7-4-11-24-14-17;1-22-13-5-3-12(4-6-13)18-19-15(9-10-20-18)16-11-14(23-2)7-8-17(16)21-19;1-21-13-7-8-16-15(11-13)14-9-10-19-17(18(14)20-16)12-5-3-2-4-6-12;1-21-13-7-8-14-15-9-10-19-17(12-5-3-2-4-6-12)18(15)20-16(14)11-13;1-21-12-4-5-15-14(9-12)13-6-8-19-16(17(13)20-15)11-3-2-7-18-10-11;20-12-6-7-15-14(10-12)13-8-9-18-16(17(13)19-15)11-4-2-1-3-5-11;17-11-3-4-14-13(8-11)12-5-7-19-15(16(12)20-14)10-2-1-6-18-9-10/h1-9,11,13-14,22,25-26H,10,12,15H2;3-8,11,18,20-21H,9-10H2,1-2H3;2*2-8,11,17,19-20H,9-10H2,1H3;2-5,7,9-10,16,19-20H,6,8H2,1H3;1-7,10,16,18-20H,8-9H2;1-4,6,8-9,15,19-20H,5,7H2
• InChIKey: HGECLUMMOXXMBR-UHFFFAOYSA-N
• XLogP: 23.99
• TPSA: 309.02 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2047.96
LogP ≤ 5	23.99
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?

The IUPAC name of 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol (CID 158469483) is 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol.

What is the SMILES notation for 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?

The canonical SMILES for 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol is COc1ccc(C2NCCc3c2[nH]c2ccc(OC)cc32)cc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1.COc1ccc2c3c([nH]c2c1)C(c1ccccc1)NCC3.Clc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1.Oc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1.c1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4c2cccnc2)cc1.

What is the InChIKey of 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?

The InChIKey is HGECLUMMOXXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O.C19H20N2O2.2C18H18N2O.C17H17N3O.C17H16N2O.C16H14ClN3/c1-2-5-16(6-3-1)15-27-18-8-9-21-20(13-18)19-10-12-25-22(23(19)26-21)17-7-4-11-24-14-17;1-22-13-5-3-12(4-6-13)18-19-15(9-10-20-18)16-11-14(23-2)7-8-17(16)21-19;1-21-13-7-8-16-15(11-13)14-9-10-19-17(18(14)20-16)12-5-3-2-4-6-12;1-21-13-7-8-14-15-9-10-19-17(12-5-3-2-4-6-12)18(15)20-16(14)11-13;1-21-12-4-5-15-14(9-12)13-6-8-19-16(17(13)20-15)11-3-2-7-18-10-11;20-12-6-7-15-14(10-12)13-8-9-18-16(17(13)19-15)11-4-2-1-3-5-11;17-11-3-4-14-13(8-11)12-5-7-19-15(16(12)20-14)10-2-1-6-18-9-10/h1-9,11,13-14,22,25-26H,10,12,15H2;3-8,11,18,20-21H,9-10H2,1-2H3;2*2-8,11,17,19-20H,9-10H2,1H3;2-5,7,9-10,16,19-20H,6,8H2,1H3;1-7,10,16,18-20H,8-9H2;1-4,6,8-9,15,19-20H,5,7H2.

What are the key properties of 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?

6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol has a molecular weight of 2047.96 g/mol, XLogP of 23.99, 15 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 158469483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).