6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine

C18H21N5 — CID 124996383

IUPAC6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine
SMILESCNc1cncc([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C18H21N5/c1-19-18-11-20-10-16(22-18)17-6-3-9-23(17)12-13-4-2-5-15-14(13)7-8-21-15/h2,4-5,7-8,10-11,17,21H,3,6,9,12H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyQSMCMTHDQQBHFG-KRWDZBQOSA-N
MW307.40 g/mol
LogP3.34
Rot. Bonds4

About 6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine

6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine (PubChem CID 124996383) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine
PubChem CID124996383
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine
SMILESCNc1cncc([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C18H21N5/c1-19-18-11-20-10-16(22-18)17-6-3-9-23(17)12-13-4-2-5-15-14(13)7-8-21-15/h2,4-5,7-8,10-11,17,21H,3,6,9,12H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyQSMCMTHDQQBHFG-KRWDZBQOSA-N
XLogP3.34
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2R)-1-[[2-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996999
6-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951210
6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951209
N-[[6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019695
N-methyl-6-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 132776032
3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 125009412
N-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125003062
N-methyl-6-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 132775734
N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125011127
5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 132771561
N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124946512
N-methyl-3-[[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 124965358

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine?
The IUPAC name of 6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine (CID 124996383) is 6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine?
The canonical SMILES for 6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine is CNc1cncc([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1.
What is the InChIKey of 6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine?
The InChIKey is QSMCMTHDQQBHFG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N5/c1-19-18-11-20-10-16(22-18)17-6-3-9-23(17)12-13-4-2-5-15-14(13)7-8-21-15/h2,4-5,7-8,10-11,17,21H,3,6,9,12H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of 6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine?
6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 124996383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).