1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine

C21H26FN5 — CID 167766244

IUPAC1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine
SMILESCCN1CCN(c2cc(CNCc3cc4c(F)cccc4[nH]3)ccn2)CC1
InChIInChI=1S/C21H26FN5/c1-2-26-8-10-27(11-9-26)21-12-16(6-7-24-21)14-23-15-17-13-18-19(22)4-3-5-20(18)25-17/h3-7,12-13,23,25H,2,8-11,14-15H2,1H3
InChIKeyFVHGHBRIFJYTMP-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine

1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine (PubChem CID 167766244) has the molecular formula C21H26FN5 and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine
PubChem CID167766244
Molecular FormulaC21H26FN5
Molecular Weight367.47 g/mol
Exact Mass367.22
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine
SMILESCCN1CCN(c2cc(CNCc3cc4c(F)cccc4[nH]3)ccn2)CC1
InChIInChI=1S/C21H26FN5/c1-2-26-8-10-27(11-9-26)21-12-16(6-7-24-21)14-23-15-17-13-18-19(22)4-3-5-20(18)25-17/h3-7,12-13,23,25H,2,8-11,14-15H2,1H3
InChIKeyFVHGHBRIFJYTMP-UHFFFAOYSA-N
XLogP3.13
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine 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

(2S)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbutan-2-amine
CID 97221084
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 49172277
2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline
CID 133300147
1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine
CID 119125461
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 49266569
3-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111285876
(1S)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 97231063
(1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 97221087
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide
CID 86882069
N-[[2-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 62932701
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine
CID 47052543
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine (CID 167766244) is 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine is CCN1CCN(c2cc(CNCc3cc4c(F)cccc4[nH]3)ccn2)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine?
The InChIKey is FVHGHBRIFJYTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5/c1-2-26-8-10-27(11-9-26)21-12-16(6-7-24-21)14-23-15-17-13-18-19(22)4-3-5-20(18)25-17/h3-7,12-13,23,25H,2,8-11,14-15H2,1H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine?
1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine has a molecular weight of 367.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine is sourced from PubChem (CID 167766244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).