3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

C20H19N5O3 — CID 91628023

IUPAC3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCOc1ccc2cc(C(=O)N3CCCC(Oc4nccnc4C#N)C3)[nH]c2c1
InChIInChI=1S/C20H19N5O3/c1-27-14-5-4-13-9-17(24-16(13)10-14)20(26)25-8-2-3-15(12-25)28-19-18(11-21)22-6-7-23-19/h4-7,9-10,15,24H,2-3,8,12H2,1H3
InChIKeyGNGYWEPNGLTTPA-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.52
Rot. Bonds4

About 3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 91628023) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID91628023
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCOc1ccc2cc(C(=O)N3CCCC(Oc4nccnc4C#N)C3)[nH]c2c1
InChIInChI=1S/C20H19N5O3/c1-27-14-5-4-13-9-17(24-16(13)10-14)20(26)25-8-2-3-15(12-25)28-19-18(11-21)22-6-7-23-19/h4-7,9-10,15,24H,2-3,8,12H2,1H3
InChIKeyGNGYWEPNGLTTPA-UHFFFAOYSA-N
XLogP2.52
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626740
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122257934
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799041
(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 100652570
3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650467
3-[1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636459
3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650587
(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416402
2-[(3R)-1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786376
3-[1-(3,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636515
3-[(3R)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100648935
3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650696

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 91628023) is 3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is COc1ccc2cc(C(=O)N3CCCC(Oc4nccnc4C#N)C3)[nH]c2c1.
What is the InChIKey of 3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is GNGYWEPNGLTTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-27-14-5-4-13-9-17(24-16(13)10-14)20(26)25-8-2-3-15(12-25)28-19-18(11-21)22-6-7-23-19/h4-7,9-10,15,24H,2-3,8,12H2,1H3.
What are the key properties of 3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 377.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91628023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).