[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C20H24N4O2 — CID 135116818

IUPAC[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc2c(cc1CNc1cncc(C(=O)N3CCCC3)n1)CCC2
InChIInChI=1S/C20H24N4O2/c1-26-18-10-15-6-4-5-14(15)9-16(18)11-22-19-13-21-12-17(23-19)20(25)24-7-2-3-8-24/h9-10,12-13H,2-8,11H2,1H3,(H,22,23)
InChIKeyVRRKSWZTVLUWQJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.82
Rot. Bonds5

About [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 135116818) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID135116818
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc2c(cc1CNc1cncc(C(=O)N3CCCC3)n1)CCC2
InChIInChI=1S/C20H24N4O2/c1-26-18-10-15-6-4-5-14(15)9-16(18)11-22-19-13-21-12-17(23-19)20(25)24-7-2-3-8-24/h9-10,12-13H,2-8,11H2,1H3,(H,22,23)
InChIKeyVRRKSWZTVLUWQJ-UHFFFAOYSA-N
XLogP2.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134710262
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine
CID 135098698
[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135100266
[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 131952839
[6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 74239050
[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135093411
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine
CID 157014952
(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide
CID 97192797
[6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 97135307
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426
[5-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273528
azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
CID 109212072

Frequently Asked Questions

What is the IUPAC name of [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 135116818) is [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is COc1cc2c(cc1CNc1cncc(C(=O)N3CCCC3)n1)CCC2.
What is the InChIKey of [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VRRKSWZTVLUWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-18-10-15-6-4-5-14(15)9-16(18)11-22-19-13-21-12-17(23-19)20(25)24-7-2-3-8-24/h9-10,12-13H,2-8,11H2,1H3,(H,22,23).
What are the key properties of [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 352.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135116818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).