3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole

C21H26N4 — CID 3509123

IUPAC3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole
SMILESCCN1CCN(C(c2cccnc2)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C21H26N4/c1-3-24-11-13-25(14-12-24)21(17-7-6-10-22-15-17)20-16(2)23-19-9-5-4-8-18(19)20/h4-10,15,21,23H,3,11-14H2,1-2H3
InChIKeySVZFZLJWUPBJMM-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.60
Rot. Bonds4

About 3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole

3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole (PubChem CID 3509123) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole
PubChem CID3509123
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole
SMILESCCN1CCN(C(c2cccnc2)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C21H26N4/c1-3-24-11-13-25(14-12-24)21(17-7-6-10-22-15-17)20-16(2)23-19-9-5-4-8-18(19)20/h4-10,15,21,23H,3,11-14H2,1-2H3
InChIKeySVZFZLJWUPBJMM-UHFFFAOYSA-N
XLogP3.60
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 5056524
2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole
CID 830462
4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine
CID 729468
3-[(4-ethylphenyl)-(4-methylpiperazin-1-yl)methyl]-2-methyl-1H-indole
CID 110453369
ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-3-ylmethyl]piperidin-1-ium-4-carboxylate
CID 5190269
3-[(R)-(2-methoxyphenyl)-[4-[(S)-(2-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1H-indole
CID 98146114
2-bromo-N-[(R)-(2-methyl-1H-indol-3-yl)-pyridin-3-ylmethyl]aniline
CID 1189558
4-iodo-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-3-ylmethyl]aniline
CID 1184822
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
2-methyl-3-[(S)-(4-phenylpiperazin-1-yl)-thiophen-2-ylmethyl]-1H-indole
CID 1251311
4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine
CID 696739
3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 5182882

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole (CID 3509123) is 3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole is CCN1CCN(C(c2cccnc2)c2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole?
The InChIKey is SVZFZLJWUPBJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-3-24-11-13-25(14-12-24)21(17-7-6-10-22-15-17)20-16(2)23-19-9-5-4-8-18(19)20/h4-10,15,21,23H,3,11-14H2,1-2H3.
What are the key properties of 3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole?
3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole has a molecular weight of 334.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole is sourced from PubChem (CID 3509123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).