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

C17H16N6O — CID 50961108

IUPAC5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCc1ccc2nc(C)c(C(=O)N3CCn4nc(C#N)cc4C3)n2c1
InChIInChI=1S/C17H16N6O/c1-11-3-4-15-19-12(2)16(22(15)9-11)17(24)21-5-6-23-14(10-21)7-13(8-18)20-23/h3-4,7,9H,5-6,10H2,1-2H3
InChIKeyPPVUAEOUKWOGOZ-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.68
Rot. Bonds1

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

5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (PubChem CID 50961108) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
PubChem CID50961108
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCc1ccc2nc(C)c(C(=O)N3CCn4nc(C#N)cc4C3)n2c1
InChIInChI=1S/C17H16N6O/c1-11-3-4-15-19-12(2)16(22(15)9-11)17(24)21-5-6-23-14(10-21)7-13(8-18)20-23/h3-4,7,9H,5-6,10H2,1-2H3
InChIKeyPPVUAEOUKWOGOZ-UHFFFAOYSA-N
XLogP1.68
TPSA79.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The IUPAC name of 5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (CID 50961108) is 5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is Cc1ccc2nc(C)c(C(=O)N3CCn4nc(C#N)cc4C3)n2c1.
What is the InChIKey of 5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The InChIKey is PPVUAEOUKWOGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-11-3-4-15-19-12(2)16(22(15)9-11)17(24)21-5-6-23-14(10-21)7-13(8-18)20-23/h3-4,7,9H,5-6,10H2,1-2H3.
What are the key properties of 5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile has a molecular weight of 320.36 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 50961108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).