3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile

C19H17N5O2 — CID 170311818

IUPAC3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile
SMILESCC(=O)N1CCC(Oc2cn(-c3cnccn3)c3c(C#N)cccc23)C1
InChIInChI=1S/C19H17N5O2/c1-13(25)23-8-5-15(11-23)26-17-12-24(18-10-21-6-7-22-18)19-14(9-20)3-2-4-16(17)19/h2-4,6-7,10,12,15H,5,8,11H2,1H3
InChIKeyOYGQJINCIJWXES-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.29
Rot. Bonds3

About 3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile

3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile (PubChem CID 170311818) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile.

Molecular Properties

Compound Name3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile
PubChem CID170311818
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile
SMILESCC(=O)N1CCC(Oc2cn(-c3cnccn3)c3c(C#N)cccc23)C1
InChIInChI=1S/C19H17N5O2/c1-13(25)23-8-5-15(11-23)26-17-12-24(18-10-21-6-7-22-18)19-14(9-20)3-2-4-16(17)19/h2-4,6-7,10,12,15H,5,8,11H2,1H3
InChIKeyOYGQJINCIJWXES-UHFFFAOYSA-N
XLogP2.29
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
CID 139331666
3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350931
3-[1-(2-naphthalen-1-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636576
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 91626626
3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
CID 114287934
3-[1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626816
3-[1-(3-bromobenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636527
3-[1-(3,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636515
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
1-[(3R)-3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 129340088

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile?
The IUPAC name of 3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile (CID 170311818) is 3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile.
What is the SMILES notation for 3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile?
The canonical SMILES for 3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile is CC(=O)N1CCC(Oc2cn(-c3cnccn3)c3c(C#N)cccc23)C1.
What is the InChIKey of 3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile?
The InChIKey is OYGQJINCIJWXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13(25)23-8-5-15(11-23)26-17-12-24(18-10-21-6-7-22-18)19-14(9-20)3-2-4-16(17)19/h2-4,6-7,10,12,15H,5,8,11H2,1H3.
What are the key properties of 3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile?
3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile has a molecular weight of 347.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile is sourced from PubChem (CID 170311818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).