(3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide

C46H47Br3N4O2 — CID 162070748

IUPAC(3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide
SMILESBr.CCCCN1CC=C(c2c[nH]c3ccc(C(=O)c4cccc(Br)c4)cc23)CC1.CCN1CC=C(c2c[nH]c3ccc(C(=O)c4ccccc4Br)cc23)CC1
InChIInChI=1S/C24H25BrN2O.C22H21BrN2O.BrH/c1-2-3-11-27-12-9-17(10-13-27)22-16-26-23-8-7-19(15-21(22)23)24(28)18-5-4-6-20(25)14-18;1-2-25-11-9-15(10-12-25)19-14-24-21-8-7-16(13-18(19)21)22(26)17-5-3-4-6-20(17)23;/h4-9,14-16,26H,2-3,10-13H2,1H3;3-9,13-14,24H,2,10-12H2,1H3;1H
InChIKeyYNELOOGPLOAAEP-UHFFFAOYSA-N
MW927.62 g/mol
LogP11.90
Rot. Bonds10

About (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide

(3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide (PubChem CID 162070748) has the molecular formula C46H47Br3N4O2 and a molecular weight of 927.62 g/mol. Its IUPAC name is (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide.

Molecular Properties

Compound Name(3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide
PubChem CID162070748
Molecular FormulaC46H47Br3N4O2
Molecular Weight927.62 g/mol
Exact Mass924.12
IUPAC Name(3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide
SMILESBr.CCCCN1CC=C(c2c[nH]c3ccc(C(=O)c4cccc(Br)c4)cc23)CC1.CCN1CC=C(c2c[nH]c3ccc(C(=O)c4ccccc4Br)cc23)CC1
InChIInChI=1S/C24H25BrN2O.C22H21BrN2O.BrH/c1-2-3-11-27-12-9-17(10-13-27)22-16-26-23-8-7-19(15-21(22)23)24(28)18-5-4-6-20(25)14-18;1-2-25-11-9-15(10-12-25)19-14-24-21-8-7-16(13-18(19)21)22(26)17-5-3-4-6-20(17)23;/h4-9,14-16,26H,2-3,10-13H2,1H3;3-9,13-14,24H,2,10-12H2,1H3;1H
InChIKeyYNELOOGPLOAAEP-UHFFFAOYSA-N
XLogP11.90
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.62
LogP ≤ 511.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide with MolForge

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Related Compounds

3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442
N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide
CID 158913056
(3-bromophenyl)-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84558955
5-(3-butoxyphenyl)sulfanyl-3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 19710019
3-[4-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883250
5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3066252
[1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(3-heptoxyphenyl)methanone
CID 151304842
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
CID 143668199
1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
CID 84560865
N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
CID 67923514
2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone
CID 23003762
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide?
The IUPAC name of (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide (CID 162070748) is (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide.
What is the SMILES notation for (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide?
The canonical SMILES for (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide is Br.CCCCN1CC=C(c2c[nH]c3ccc(C(=O)c4cccc(Br)c4)cc23)CC1.CCN1CC=C(c2c[nH]c3ccc(C(=O)c4ccccc4Br)cc23)CC1.
What is the InChIKey of (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide?
The InChIKey is YNELOOGPLOAAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O.C22H21BrN2O.BrH/c1-2-3-11-27-12-9-17(10-13-27)22-16-26-23-8-7-19(15-21(22)23)24(28)18-5-4-6-20(25)14-18;1-2-25-11-9-15(10-12-25)19-14-24-21-8-7-16(13-18(19)21)22(26)17-5-3-4-6-20(17)23;/h4-9,14-16,26H,2-3,10-13H2,1H3;3-9,13-14,24H,2,10-12H2,1H3;1H.
What are the key properties of (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide?
(3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide has a molecular weight of 927.62 g/mol, XLogP of 11.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;(2-bromophenyl)-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanone;hydrobromide is sourced from PubChem (CID 162070748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).