3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile

C17H20N8O — CID 50964675

IUPAC3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCn2nc(C(=O)N3CCN(c4nccnc4C#N)CC3)cc2C1
InChIInChI=1S/C17H20N8O/c1-22-4-9-25-13(12-22)10-14(21-25)17(26)24-7-5-23(6-8-24)16-15(11-18)19-2-3-20-16/h2-3,10H,4-9,12H2,1H3
InChIKeyAYJWQOVLKUGRON-UHFFFAOYSA-N
MW352.40 g/mol
LogP-0.05
Rot. Bonds2

About 3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 50964675) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID50964675
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCn2nc(C(=O)N3CCN(c4nccnc4C#N)CC3)cc2C1
InChIInChI=1S/C17H20N8O/c1-22-4-9-25-13(12-22)10-14(21-25)17(26)24-7-5-23(6-8-24)16-15(11-18)19-2-3-20-16/h2-3,10H,4-9,12H2,1H3
InChIKeyAYJWQOVLKUGRON-UHFFFAOYSA-N
XLogP-0.05
TPSA94.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 50964675) is 3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile is CN1CCn2nc(C(=O)N3CCN(c4nccnc4C#N)CC3)cc2C1.
What is the InChIKey of 3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is AYJWQOVLKUGRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-22-4-9-25-13(12-22)10-14(21-25)17(26)24-7-5-23(6-8-24)16-15(11-18)19-2-3-20-16/h2-3,10H,4-9,12H2,1H3.
What are the key properties of 3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 352.40 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 50964675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).