8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C86H98ClN11S3 — CID 158535575

IUPAC8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C)s1.C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cnc(N(C)C)nc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C)s1.CSc1ccc(/C(C)=C/n2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C22H23ClN2S.C22H27N5.2C21H24N2S/c1-15(16-4-7-18(26-3)8-5-16)13-25-21-9-6-17(23)12-19(21)20-14-24(2)11-10-22(20)25;1-15-6-7-20-18(10-15)19-14-26(5)9-8-21(19)27(20)13-16(2)17-11-23-22(24-12-17)25(3)4;2*1-14-5-7-19-17(11-14)18-13-22(4)10-9-20(18)23(19)12-15(2)21-8-6-16(3)24-21/h4-9,12-13H,10-11,14H2,1-3H3;6-7,10-13H,8-9,14H2,1-5H3;2*5-8,11-12H,9-10,13H2,1-4H3/b15-13+;16-13-;15-12+;15-12-
InChIKeyHNXCZVMLJOPTKO-MOSIXOOQSA-N
MW1417.46 g/mol
LogP20.49
Rot. Bonds10

About 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158535575) has the molecular formula C86H98ClN11S3 and a molecular weight of 1417.46 g/mol. Its IUPAC name is 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID158535575
Molecular FormulaC86H98ClN11S3
Molecular Weight1417.46 g/mol
Exact Mass1415.69
IUPAC Name8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C)s1.C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cnc(N(C)C)nc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C)s1.CSc1ccc(/C(C)=C/n2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C22H23ClN2S.C22H27N5.2C21H24N2S/c1-15(16-4-7-18(26-3)8-5-16)13-25-21-9-6-17(23)12-19(21)20-14-24(2)11-10-22(20)25;1-15-6-7-20-18(10-15)19-14-26(5)9-8-21(19)27(20)13-16(2)17-11-23-22(24-12-17)25(3)4;2*1-14-5-7-19-17(11-14)18-13-22(4)10-9-20(18)23(19)12-15(2)21-8-6-16(3)24-21/h4-9,12-13H,10-11,14H2,1-3H3;6-7,10-13H,8-9,14H2,1-5H3;2*5-8,11-12H,9-10,13H2,1-4H3/b15-13+;16-13-;15-12+;15-12-
InChIKeyHNXCZVMLJOPTKO-MOSIXOOQSA-N
XLogP20.49
TPSA61.70 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.46
LogP ≤ 520.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-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

5-Pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole
CID 58058968
8-[4,6-Bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058978
4-[3-[4,6-Bis[3-[8-[8-(3-pyrimidin-4-yl-2-pyridinyl)pyrido[4,3-b]indol-5-yl]dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-12-(3-pyrimidin-4-yl-2-pyridinyl)-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099619
3-[3-(1,3,5-Triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 58099746
2,3-Bis[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
CID 69157302
2,3-Bis[3-chloro-4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
CID 69158137
3-(9-Phenylcarbazol-3-yl)-9-[4-(8-phenyldibenzothiophen-4-yl)pyrimidin-2-yl]carbazole
CID 90086411
6-Pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole
CID 90251060
6-Pyridin-2-yl-9-[5-[3-[8-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[4,3-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indol-8-yl]pyrido[2,3-b]indole
CID 90251078
8-[2-[3-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]-[1]benzothiolo[3,2-b]pyridine
CID 117747357
8-[2-[3-[9-(4,6-Diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]-[1]benzothiolo[3,2-b]pyridine
CID 117747409
8-[2-[3-[9-(2,6-Diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]-[1]benzothiolo[3,2-b]pyridine
CID 117747500

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158535575) is 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C)s1.C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cnc(N(C)C)nc1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C)s1.CSc1ccc(/C(C)=C/n2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1.
What is the InChIKey of 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is HNXCZVMLJOPTKO-MOSIXOOQSA-N. The full InChI is InChI=1S/C22H23ClN2S.C22H27N5.2C21H24N2S/c1-15(16-4-7-18(26-3)8-5-16)13-25-21-9-6-17(23)12-19(21)20-14-24(2)11-10-22(20)25;1-15-6-7-20-18(10-15)19-14-26(5)9-8-21(19)27(20)13-16(2)17-11-23-22(24-12-17)25(3)4;2*1-14-5-7-19-17(11-14)18-13-22(4)10-9-20(18)23(19)12-15(2)21-8-6-16(3)24-21/h4-9,12-13H,10-11,14H2,1-3H3;6-7,10-13H,8-9,14H2,1-5H3;2*5-8,11-12H,9-10,13H2,1-4H3/b15-13+;16-13-;15-12+;15-12-.
What are the key properties of 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1417.46 g/mol, XLogP of 20.49, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-5-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(Z)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[(E)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(5-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158535575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).