[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C20H23N5O2 — CID 135100266

IUPAC[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc2[nH]cc(CCNc3cncc(C(=O)N4CCCC4)n3)c2c1
InChIInChI=1S/C20H23N5O2/c1-27-15-4-5-17-16(10-15)14(11-23-17)6-7-22-19-13-21-12-18(24-19)20(26)25-8-2-3-9-25/h4-5,10-13,23H,2-3,6-9H2,1H3,(H,22,24)
InChIKeyVUQBGRLYNSNHQB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.86
Rot. Bonds6

About [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 135100266) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID135100266
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc2[nH]cc(CCNc3cncc(C(=O)N4CCCC4)n3)c2c1
InChIInChI=1S/C20H23N5O2/c1-27-15-4-5-17-16(10-15)14(11-23-17)6-7-22-19-13-21-12-18(24-19)20(26)25-8-2-3-9-25/h4-5,10-13,23H,2-3,6-9H2,1H3,(H,22,24)
InChIKeyVUQBGRLYNSNHQB-UHFFFAOYSA-N
XLogP2.86
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363650
6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine
CID 53006760
[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225545
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 93076085
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 50768064
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 71706139
4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one
CID 4979636
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72928968
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53009996
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243

Frequently Asked Questions

What is the IUPAC name of [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 135100266) is [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is COc1ccc2[nH]cc(CCNc3cncc(C(=O)N4CCCC4)n3)c2c1.
What is the InChIKey of [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VUQBGRLYNSNHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-15-4-5-17-16(10-15)14(11-23-17)6-7-22-19-13-21-12-18(24-19)20(26)25-8-2-3-9-25/h4-5,10-13,23H,2-3,6-9H2,1H3,(H,22,24).
What are the key properties of [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 365.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135100266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).