2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine

C20H26N4O — CID 120916554

IUPAC2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine
SMILESCc1ccc2c(CCNC[C@@H]3CCO[C@H]3c3ccnn3C)c[nH]c2c1
InChIInChI=1S/C20H26N4O/c1-14-3-4-17-15(13-22-18(17)11-14)5-8-21-12-16-7-10-25-20(16)19-6-9-23-24(19)2/h3-4,6,9,11,13,16,20-22H,5,7-8,10,12H2,1-2H3/t16-,20+/m0/s1
InChIKeyVRZXYECEJMWONN-OXJNMPFZSA-N
MW338.45 g/mol
LogP3.12
Rot. Bonds6

About 2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine

2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine (PubChem CID 120916554) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine
PubChem CID120916554
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine
SMILESCc1ccc2c(CCNC[C@@H]3CCO[C@H]3c3ccnn3C)c[nH]c2c1
InChIInChI=1S/C20H26N4O/c1-14-3-4-17-15(13-22-18(17)11-14)5-8-21-12-16-7-10-25-20(16)19-6-9-23-24(19)2/h3-4,6,9,11,13,16,20-22H,5,7-8,10,12H2,1-2H3/t16-,20+/m0/s1
InChIKeyVRZXYECEJMWONN-OXJNMPFZSA-N
XLogP3.12
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 167949484
N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 126826944
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955412
(1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 97231176
N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 84587801
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
N-[2-(6-methyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82497315
2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119110585
(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 129339482
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethenesulfonamide
CID 167933645
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of 2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine (CID 120916554) is 2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for 2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine is Cc1ccc2c(CCNC[C@@H]3CCO[C@H]3c3ccnn3C)c[nH]c2c1.
What is the InChIKey of 2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is VRZXYECEJMWONN-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-3-4-17-15(13-22-18(17)11-14)5-8-21-12-16-7-10-25-20(16)19-6-9-23-24(19)2/h3-4,6,9,11,13,16,20-22H,5,7-8,10,12H2,1-2H3/t16-,20+/m0/s1.
What are the key properties of 2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine?
2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 338.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1H-indol-3-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 120916554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).