4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile

C19H21N7 — CID 175785064

IUPAC4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile
SMILESCc1cnc2c(NCC3(C#N)CCNCC3)nc(-c3ccncc3)cn12
InChIInChI=1S/C19H21N7/c1-14-10-23-18-17(24-13-19(12-20)4-8-22-9-5-19)25-16(11-26(14)18)15-2-6-21-7-3-15/h2-3,6-7,10-11,22H,4-5,8-9,13H2,1H3,(H,24,25)
InChIKeyLBIRQSIEFPVQEA-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.40
Rot. Bonds4

About 4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile

4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile (PubChem CID 175785064) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile
PubChem CID175785064
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile
SMILESCc1cnc2c(NCC3(C#N)CCNCC3)nc(-c3ccncc3)cn12
InChIInChI=1S/C19H21N7/c1-14-10-23-18-17(24-13-19(12-20)4-8-22-9-5-19)25-16(11-26(14)18)15-2-6-21-7-3-15/h2-3,6-7,10-11,22H,4-5,8-9,13H2,1H3,(H,24,25)
InChIKeyLBIRQSIEFPVQEA-UHFFFAOYSA-N
XLogP2.40
TPSA90.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile?
The IUPAC name of 4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile (CID 175785064) is 4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile is Cc1cnc2c(NCC3(C#N)CCNCC3)nc(-c3ccncc3)cn12.
What is the InChIKey of 4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile?
The InChIKey is LBIRQSIEFPVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-14-10-23-18-17(24-13-19(12-20)4-8-22-9-5-19)25-16(11-26(14)18)15-2-6-21-7-3-15/h2-3,6-7,10-11,22H,4-5,8-9,13H2,1H3,(H,24,25).
What are the key properties of 4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile?
4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile has a molecular weight of 347.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 175785064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).