3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole

C25H30N4 — CID 175038513

IUPAC3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole
SMILESCCc1c(-c2cc[nH]c2)[nH]c2ccc(C3CCN(Cc4cccn4C)CC3)cc12
InChIInChI=1S/C25H30N4/c1-3-22-23-15-19(6-7-24(23)27-25(22)20-8-11-26-16-20)18-9-13-29(14-10-18)17-21-5-4-12-28(21)2/h4-8,11-12,15-16,18,26-27H,3,9-10,13-14,17H2,1-2H3
InChIKeyIYIXREBEKYAZKM-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.44
Rot. Bonds5

About 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole

3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole (PubChem CID 175038513) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole.

Molecular Properties

Compound Name3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole
PubChem CID175038513
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole
SMILESCCc1c(-c2cc[nH]c2)[nH]c2ccc(C3CCN(Cc4cccn4C)CC3)cc12
InChIInChI=1S/C25H30N4/c1-3-22-23-15-19(6-7-24(23)27-25(22)20-8-11-26-16-20)18-9-13-29(14-10-18)17-21-5-4-12-28(21)2/h4-8,11-12,15-16,18,26-27H,3,9-10,13-14,17H2,1-2H3
InChIKeyIYIXREBEKYAZKM-UHFFFAOYSA-N
XLogP5.44
TPSA39.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole with MolForge

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Related Compounds

2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole
CID 142594360
3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 134330051
2-(3,4-dimethoxyphenyl)-3-ethyl-5-[1-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-indole
CID 134230262
5-[1-(2-chloropiperidin-1-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole
CID 175223781
2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 161426605
1-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethanone
CID 134230178
2-bromo-3-(cyclopropylmethyl)-5-(1-ethylpiperidin-4-yl)-1H-indole
CID 175223729
2-[[2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]amino]acetonitrile
CID 134231138
6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 142594226
5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole
CID 11453147
4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid
CID 146575356
[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 134231041

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole?
The IUPAC name of 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole (CID 175038513) is 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole.
What is the SMILES notation for 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole?
The canonical SMILES for 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole is CCc1c(-c2cc[nH]c2)[nH]c2ccc(C3CCN(Cc4cccn4C)CC3)cc12.
What is the InChIKey of 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole?
The InChIKey is IYIXREBEKYAZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-3-22-23-15-19(6-7-24(23)27-25(22)20-8-11-26-16-20)18-9-13-29(14-10-18)17-21-5-4-12-28(21)2/h4-8,11-12,15-16,18,26-27H,3,9-10,13-14,17H2,1-2H3.
What are the key properties of 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole?
3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole has a molecular weight of 386.54 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole is sourced from PubChem (CID 175038513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).