2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C116H131N13OS2 — CID 159779234

IUPAC2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C\n1c2c(c3cc(C)cc(C)c31)CN(C)CC2)c1ccc(C)nc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1sccc1C.COc1cc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)ccn1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccc(C)s3)CCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccc4c(ccn4C)c3)CCC2)CCN(C)C1
InChIInChI=1S/C27H29N3.C23H27N3.C23H26N2S.C22H25N3O.C21H24N2S/c1-18-7-9-26-22(15-18)23-17-28(2)13-12-27(23)30(26)25-6-4-5-21(25)19-8-10-24-20(16-19)11-14-29(24)3;1-15-10-16(2)23-20(11-15)21-14-25(5)9-8-22(21)26(23)13-17(3)19-7-6-18(4)24-12-19;1-15-7-9-21-18(13-15)19-14-24(3)12-11-22(19)25(21)20-6-4-5-17(20)23-10-8-16(2)26-23;1-15-5-6-20-18(11-15)19-14-24(3)10-8-21(19)25(20)13-16(2)17-7-9-23-22(12-17)26-4;1-14-5-6-19-17(11-14)18-13-22(4)9-7-20(18)23(19)12-16(3)21-15(2)8-10-24-21/h7-11,14-16H,4-6,12-13,17H2,1-3H3;6-7,10-13H,8-9,14H2,1-5H3;7-10,13H,4-6,11-12,14H2,1-3H3;5-7,9,11-13H,8,10,14H2,1-4H3;5-6,8,10-12H,7,9,13H2,1-4H3/b;17-13+;;16-13+;16-12+
InChIKeyNHDKZQASGSLAPK-OTDITBRUSA-N
MW1787.55 g/mol
LogP26.49
Rot. Bonds11

About 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 159779234) has the molecular formula C116H131N13OS2 and a molecular weight of 1787.55 g/mol. Its IUPAC name is 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID159779234
Molecular FormulaC116H131N13OS2
Molecular Weight1787.55 g/mol
Exact Mass1786.00
IUPAC Name2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C\n1c2c(c3cc(C)cc(C)c31)CN(C)CC2)c1ccc(C)nc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1sccc1C.COc1cc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)ccn1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccc(C)s3)CCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccc4c(ccn4C)c3)CCC2)CCN(C)C1
InChIInChI=1S/C27H29N3.C23H27N3.C23H26N2S.C22H25N3O.C21H24N2S/c1-18-7-9-26-22(15-18)23-17-28(2)13-12-27(23)30(26)25-6-4-5-21(25)19-8-10-24-20(16-19)11-14-29(24)3;1-15-10-16(2)23-20(11-15)21-14-25(5)9-8-22(21)26(23)13-17(3)19-7-6-18(4)24-12-19;1-15-7-9-21-18(13-15)19-14-24(3)12-11-22(19)25(21)20-6-4-5-17(20)23-10-8-16(2)26-23;1-15-5-6-20-18(11-15)19-14-24(3)10-8-21(19)25(20)13-16(2)17-7-9-23-22(12-17)26-4;1-14-5-6-19-17(11-14)18-13-22(4)9-7-20(18)23(19)12-16(3)21-15(2)8-10-24-21/h7-11,14-16H,4-6,12-13,17H2,1-3H3;6-7,10-13H,8-9,14H2,1-5H3;7-10,13H,4-6,11-12,14H2,1-3H3;5-7,9,11-13H,8,10,14H2,1-4H3;5-6,8,10-12H,7,9,13H2,1-4H3/b;17-13+;;16-13+;16-12+
InChIKeyNHDKZQASGSLAPK-OTDITBRUSA-N
XLogP26.49
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.55
LogP ≤ 526.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-(3,5-dimethylphenyl)pyridine;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;pentakis(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-[8-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine
CID 157104898
[5-[(E)-2-[5-[5-[(E)-2-[9-(4-dodecoxyphenyl)carbazol-3-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2-[(Z)-[5-[(E)-2-[5-[5-[(E)-2-[9-(4-dodecoxyphenyl)carbazol-3-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-3-methylpyrrol-2-ylidene]-pyridin-4-ylmethyl]-3-methylpyrrol-1-yl]-difluoroborane
CID 177401563
[5-[(E)-2-[5-[(E)-2-[9-(4-dodecoxyphenyl)carbazol-3-yl]ethenyl]thiophen-2-yl]ethenyl]-2-[(Z)-[5-[(E)-2-[5-[(E)-2-[9-(4-dodecoxyphenyl)carbazol-3-yl]ethenyl]thiophen-2-yl]ethenyl]-3-methylpyrrol-2-ylidene]-pyridin-4-ylmethyl]-3-methylpyrrol-1-yl]-difluoroborane
CID 177413030
3,6-Ditert-butyl-9-[3-[5-[5-[2-[4-[5-[5-[3-(3,6-ditert-butylcarbazol-9-yl)propyl]thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl]thiophen-2-yl]propyl]carbazole;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);diisothiocyanate
CID 58526582
3,6-Ditert-butyl-9-[3-[5-[2-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)propyl]thieno[3,2-b]thiophen-5-yl]-2-pyridinyl]-4-pyridinyl]thieno[3,2-b]thiophen-2-yl]propyl]carbazole;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);diisothiocyanate
CID 58526604
4,20-bis(1-benzothiophen-3-yl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,20-bis(9-phenylcarbazol-3-yl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-4-yl]aniline;4,20-dipyridin-3-yl-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 157065891
CID 157174417
CID 157174417
N-(4-methoxyphenyl)-9-(4-pyridin-2-ylphenyl)-N-[9-(4-pyridin-2-ylphenyl)carbazol-4-yl]carbazol-4-amine;N-(3-methylphenyl)-9-(4-pyridin-3-ylphenyl)-N-[9-(4-pyridin-3-ylphenyl)carbazol-4-yl]carbazol-4-amine;N-(4-methylphenyl)-9-(4-pyridin-2-ylphenyl)-N-[9-(4-pyridin-2-ylphenyl)carbazol-4-yl]carbazol-4-amine;N-phenyl-9-(4-pyridin-3-ylphenyl)-N-[9-(4-pyridin-3-ylphenyl)carbazol-4-yl]carbazol-4-amine;N-phenyl-9-(4-pyridin-4-ylphenyl)-N-[9-(4-pyridin-4-ylphenyl)carbazol-4-yl]carbazol-4-amine
CID 157228974
N-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-piperidin-1-ylphenyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-piperidin-1-ylphenyl)indol-3-yl]-1,3-benzothiazole
CID 157243575
5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 157370457
4-[3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-[4-(diethylamino)phenyl]carbazol-3-yl]carbazol-9-yl]-N,N-diethylaniline;3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-(6-methyldibenzothiophen-4-yl)-6-[6-(6-methyldibenzothiophen-4-yl)-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 157457724
12-(4-Methoxyphenyl)-7,22-diphenyl-11-(4-pyridin-3-ylphenyl)-7,22-diazahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-thia-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-thia-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene
CID 157474585

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 159779234) is 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C\n1c2c(c3cc(C)cc(C)c31)CN(C)CC2)c1ccc(C)nc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1sccc1C.COc1cc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)ccn1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccc(C)s3)CCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C2=C(c3ccc4c(ccn4C)c3)CCC2)CCN(C)C1.
What is the InChIKey of 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is NHDKZQASGSLAPK-OTDITBRUSA-N. The full InChI is InChI=1S/C27H29N3.C23H27N3.C23H26N2S.C22H25N3O.C21H24N2S/c1-18-7-9-26-22(15-18)23-17-28(2)13-12-27(23)30(26)25-6-4-5-21(25)19-8-10-24-20(16-19)11-14-29(24)3;1-15-10-16(2)23-20(11-15)21-14-25(5)9-8-22(21)26(23)13-17(3)19-7-6-18(4)24-12-19;1-15-7-9-21-18(13-15)19-14-24(3)12-11-22(19)25(21)20-6-4-5-17(20)23-10-8-16(2)26-23;1-15-5-6-20-18(11-15)19-14-24(3)10-8-21(19)25(20)13-16(2)17-7-9-23-22(12-17)26-4;1-14-5-6-19-17(11-14)18-13-22(4)9-7-20(18)23(19)12-16(3)21-15(2)8-10-24-21/h7-11,14-16H,4-6,12-13,17H2,1-3H3;6-7,10-13H,8-9,14H2,1-5H3;7-10,13H,4-6,11-12,14H2,1-3H3;5-7,9,11-13H,8,10,14H2,1-4H3;5-6,8,10-12H,7,9,13H2,1-4H3/b;17-13+;;16-13+;16-12+.
What are the key properties of 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1787.55 g/mol, XLogP of 26.49, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(5-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;2,6,8-trimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 159779234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).