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

C95H94N12O6 — CID 158285318

IUPAC6-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
SMILESCOc1ccc(C2NCCc3c2[nH]c2ccc(OC)cc32)cc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1.COc1ccc2c3c([nH]c2c1)C(c1ccccc1)NCC3.c1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4c2cccnc2)cc1
InChIInChI=1S/C23H21N3O.C19H20N2O2.2C18H18N2O.C17H17N3O/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/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
InChIKeyGKSATKNOKNWATB-UHFFFAOYSA-N
MW1499.87 g/mol
LogP17.43
Rot. Bonds13

About 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

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 (PubChem CID 158285318) has the molecular formula C95H94N12O6 and a molecular weight of 1499.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID158285318
Molecular FormulaC95H94N12O6
Molecular Weight1499.87 g/mol
Exact Mass1498.74
IUPAC Name6-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
SMILESCOc1ccc(C2NCCc3c2[nH]c2ccc(OC)cc32)cc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1.COc1ccc2c3c([nH]c2c1)C(c1ccccc1)NCC3.c1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4c2cccnc2)cc1
InChIInChI=1S/C23H21N3O.C19H20N2O2.2C18H18N2O.C17H17N3O/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/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
InChIKeyGKSATKNOKNWATB-UHFFFAOYSA-N
XLogP17.43
TPSA220.26 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001499.87
LogP ≤ 517.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-(phenylmethoxy)-1-((5-(phenylmethoxy)-1H-indol-3-yl)methyl)-, monohydrochloride
CID 3045968
5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-[4-[[1-[2-(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)ethyl]triazol-4-yl]methoxy]phenyl]-21,23-dihydroporphyrin
CID 136238805
3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 57326788
3-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
CID 127035684
3-[1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methyl]-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 145958676
5,10,15-tripyridin-4-yl-20-[4-[[1-[2-(9H-pyrido[3,4-b]indol-1-yl)ethyl]triazol-4-yl]methoxy]phenyl]-21,23-dihydroporphyrin
CID 136238800
6-methoxy-5-[6-methoxy-8-[5-[4-[(1-methyl-9H-pyrido[3,4-b]indol-6-yl)oxymethyl]triazol-1-yl]pentan-2-ylamino]quinolin-5-yl]-N-[5-[4-[(1-methyl-9H-pyrido[3,4-b]indol-6-yl)oxymethyl]triazol-1-yl]pentan-2-yl]quinolin-8-amine
CID 177655683
N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-methoxy-3-[3-[3-[4-[4-[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]piperidin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]propoxy]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 137510539
CID 157763501
CID 157763501
(1R,3R)-1-[4-[2-(azepan-1-yl)ethoxy]-2,6-difluorophenyl]-2-(2,2-difluoropropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-(2,2-difluoropropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-2-(2,2-difluoropropyl)-1-[2,6-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-2-(2,2-difluoropropyl)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 157816084

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 158285318) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(C2NCCc3c2[nH]c2ccc(OC)cc32)cc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1.COc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1.COc1ccc2c3c([nH]c2c1)C(c1ccccc1)NCC3.c1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4c2cccnc2)cc1.
What is the InChIKey of 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?
The InChIKey is GKSATKNOKNWATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O.C19H20N2O2.2C18H18N2O.C17H17N3O/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/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.
What are the key properties of 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?
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 has a molecular weight of 1499.87 g/mol, XLogP of 17.43, 13 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158285318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).