1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C17H16N4O2 — CID 91626672

IUPAC1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C17H16N4O2/c22-17(13-2-1-12-3-5-19-15(12)9-13)21-8-4-14(11-21)23-16-10-18-6-7-20-16/h1-3,5-7,9-10,14,19H,4,8,11H2
InChIKeySIOFJUNOFCEOSV-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.25
Rot. Bonds3

About 1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 91626672) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID91626672
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C17H16N4O2/c22-17(13-2-1-12-3-5-19-15(12)9-13)21-8-4-14(11-21)23-16-10-18-6-7-20-16/h1-3,5-7,9-10,14,19H,4,8,11H2
InChIKeySIOFJUNOFCEOSV-UHFFFAOYSA-N
XLogP2.25
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
1H-indol-6-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627672
3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558946
[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636200
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 90639673
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636217
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626691

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of 1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 91626672) is 1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for 1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is O=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of 1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is SIOFJUNOFCEOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(13-2-1-12-3-5-19-15(12)9-13)21-8-4-14(11-21)23-16-10-18-6-7-20-16/h1-3,5-7,9-10,14,19H,4,8,11H2.
What are the key properties of 1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 308.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 91626672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).