1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile

C21H20N6 — CID 135249494

IUPAC1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile
SMILESCn1ccc2cc(-c3cnn4ccnc(N5CCC(C#N)CC5)c34)ccc21
InChIInChI=1S/C21H20N6/c1-25-8-6-17-12-16(2-3-19(17)25)18-14-24-27-11-7-23-21(20(18)27)26-9-4-15(13-22)5-10-26/h2-3,6-8,11-12,14-15H,4-5,9-10H2,1H3
InChIKeyKCDCEGAWCXSSDL-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.63
Rot. Bonds2

About 1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile

1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile (PubChem CID 135249494) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile
PubChem CID135249494
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile
SMILESCn1ccc2cc(-c3cnn4ccnc(N5CCC(C#N)CC5)c34)ccc21
InChIInChI=1S/C21H20N6/c1-25-8-6-17-12-16(2-3-19(17)25)18-14-24-27-11-7-23-21(20(18)27)26-9-4-15(13-22)5-10-26/h2-3,6-8,11-12,14-15H,4-5,9-10H2,1H3
InChIKeyKCDCEGAWCXSSDL-UHFFFAOYSA-N
XLogP3.63
TPSA62.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile (CID 135249494) is 1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile is Cn1ccc2cc(-c3cnn4ccnc(N5CCC(C#N)CC5)c34)ccc21.
What is the InChIKey of 1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile?
The InChIKey is KCDCEGAWCXSSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-25-8-6-17-12-16(2-3-19(17)25)18-14-24-27-11-7-23-21(20(18)27)26-9-4-15(13-22)5-10-26/h2-3,6-8,11-12,14-15H,4-5,9-10H2,1H3.
What are the key properties of 1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile?
1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile has a molecular weight of 356.43 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 135249494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).