4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C95H108FN11O2 — CID 158311760

IUPAC4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C(=O)N(C)C)cc1.CCCN1CCc2c(c3cc(C)ccc3n2/C=C(\C)c2ccncc2)C1.CCc1ccc2c(c1)c1c(n2/C=C(\C)c2ccc(F)cc2)CCN(C)C1.CNC(=O)c1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C25H29N3O.C24H27N3O.C23H25FN2.C23H27N3/c1-17-6-11-23-21(14-17)22-16-27(5)13-12-24(22)28(23)15-18(2)19-7-9-20(10-8-19)25(29)26(3)4;1-16-5-10-22-20(13-16)21-15-26(4)12-11-23(21)27(22)14-17(2)18-6-8-19(9-7-18)24(28)25-3;1-4-17-5-10-22-20(13-17)21-15-25(3)12-11-23(21)26(22)14-16(2)18-6-8-19(24)9-7-18;1-4-12-25-13-9-23-21(16-25)20-14-17(2)5-6-22(20)26(23)15-18(3)19-7-10-24-11-8-19/h6-11,14-15H,12-13,16H2,1-5H3;5-10,13-14H,11-12,15H2,1-4H3,(H,25,28);5-10,13-14H,4,11-12,15H2,1-3H3;5-8,10-11,14-15H,4,9,12-13,16H2,1-3H3/b18-15+;17-14+;16-14+;18-15+
InChIKeyGNTLJMWXIZNECZ-UGDFDBRSSA-N
MW1454.98 g/mol
LogP19.45
Rot. Bonds13

About 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158311760) has the molecular formula C95H108FN11O2 and a molecular weight of 1454.98 g/mol. Its IUPAC name is 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID158311760
Molecular FormulaC95H108FN11O2
Molecular Weight1454.98 g/mol
Exact Mass1453.87
IUPAC Name4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C(=O)N(C)C)cc1.CCCN1CCc2c(c3cc(C)ccc3n2/C=C(\C)c2ccncc2)C1.CCc1ccc2c(c1)c1c(n2/C=C(\C)c2ccc(F)cc2)CCN(C)C1.CNC(=O)c1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C25H29N3O.C24H27N3O.C23H25FN2.C23H27N3/c1-17-6-11-23-21(14-17)22-16-27(5)13-12-24(22)28(23)15-18(2)19-7-9-20(10-8-19)25(29)26(3)4;1-16-5-10-22-20(13-16)21-15-26(4)12-11-23(21)27(22)14-17(2)18-6-8-19(9-7-18)24(28)25-3;1-4-17-5-10-22-20(13-17)21-15-25(3)12-11-23(21)26(22)14-16(2)18-6-8-19(24)9-7-18;1-4-12-25-13-9-23-21(16-25)20-14-17(2)5-6-22(20)26(23)15-18(3)19-7-10-24-11-8-19/h6-11,14-15H,12-13,16H2,1-5H3;5-10,13-14H,11-12,15H2,1-4H3,(H,25,28);5-10,13-14H,4,11-12,15H2,1-3H3;5-8,10-11,14-15H,4,9,12-13,16H2,1-3H3/b18-15+;17-14+;16-14+;18-15+
InChIKeyGNTLJMWXIZNECZ-UGDFDBRSSA-N
XLogP19.45
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.98
LogP ≤ 519.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

CID 49798378
CID 49798378
1-[4-[4-[4-[2-(3-fluoro-4-methylphenyl)-6-(1H-indol-5-yl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798379
1-[4-[4-[4-[2-(3-fluorophenyl)-6-(1H-indol-5-yl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798388
1-[4-[4-[4-[2-(4-fluorophenyl)-6-(1H-indol-5-yl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798389
1-[4-[4-[4-[2-(1H-indol-5-yl)-6-(4-methylphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798391
[3-[2-[6-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1H-indol-3-yl]-2,3-dihydro-1H-indol-6-yl]phenyl]-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]methanone
CID 70693944
4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin-5-yl]-N-[[3-[[[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin-5-yl]benzoyl]amino]methyl]phenyl]methyl]benzamide hexaiodide
CID 45266210
4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin-5-yl]-N-[[4-[[[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin-5-yl]benzoyl]amino]methyl]phenyl]methyl]benzamide hexaiodide
CID 45266211
N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide
CID 155511430
iridium;N-[(2S)-1-oxo-3-pyridin-4-yl-1-[(6-pyridin-2-yl-3-pyridinyl)methylamino]propan-2-yl]benzamide;bis(2-phenylquinoline)
CID 166593972
5-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide
CID 44177611
5-acetyl-N-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-2-(4-(trifluoromethyl)benzyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide
CID 44177714

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158311760) is 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(C(=O)N(C)C)cc1.CCCN1CCc2c(c3cc(C)ccc3n2/C=C(\C)c2ccncc2)C1.CCc1ccc2c(c1)c1c(n2/C=C(\C)c2ccc(F)cc2)CCN(C)C1.CNC(=O)c1ccc(/C(C)=C/n2c3c(c4cc(C)ccc42)CN(C)CC3)cc1.
What is the InChIKey of 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is GNTLJMWXIZNECZ-UGDFDBRSSA-N. The full InChI is InChI=1S/C25H29N3O.C24H27N3O.C23H25FN2.C23H27N3/c1-17-6-11-23-21(14-17)22-16-27(5)13-12-24(22)28(23)15-18(2)19-7-9-20(10-8-19)25(29)26(3)4;1-16-5-10-22-20(13-16)21-15-26(4)12-11-23(21)27(22)14-17(2)18-6-8-19(9-7-18)24(28)25-3;1-4-17-5-10-22-20(13-17)21-15-25(3)12-11-23(21)26(22)14-16(2)18-6-8-19(24)9-7-18;1-4-12-25-13-9-23-21(16-25)20-14-17(2)5-6-22(20)26(23)15-18(3)19-7-10-24-11-8-19/h6-11,14-15H,12-13,16H2,1-5H3;5-10,13-14H,11-12,15H2,1-4H3,(H,25,28);5-10,13-14H,4,11-12,15H2,1-3H3;5-8,10-11,14-15H,4,9,12-13,16H2,1-3H3/b18-15+;17-14+;16-14+;18-15+.
What are the key properties of 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1454.98 g/mol, XLogP of 19.45, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N,N-dimethylbenzamide;4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-N-methylbenzamide;8-ethyl-5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-methyl-2-propyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158311760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).