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4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile

C18H15ClN6 — CID 174117085

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESN#Cc1cnn2cc(Cl)nc(-c3ccc(N4CC5CC(C5)C4)nc3)c12
InChIInChI=1S/C18H15ClN6/c19-15-10-25-18(14(5-20)7-22-25)17(23-15)13-1-2-16(21-6-13)24-8-11-3-12(4-11)9-24/h1-2,6-7,10-12H,3-4,8-9H2
InChIKeyREWNLPOMFDZFQQ-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.16
Rot. Bonds2

About 4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile

4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 174117085) has the molecular formula C18H15ClN6 and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID174117085
Molecular FormulaC18H15ClN6
Molecular Weight350.81 g/mol
Exact Mass350.10
IUPAC Name4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESN#Cc1cnn2cc(Cl)nc(-c3ccc(N4CC5CC(C5)C4)nc3)c12
InChIInChI=1S/C18H15ClN6/c19-15-10-25-18(14(5-20)7-22-25)17(23-15)13-1-2-16(21-6-13)24-8-11-3-12(4-11)9-24/h1-2,6-7,10-12H,3-4,8-9H2
InChIKeyREWNLPOMFDZFQQ-UHFFFAOYSA-N
XLogP3.16
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 174117085) is 4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile is N#Cc1cnn2cc(Cl)nc(-c3ccc(N4CC5CC(C5)C4)nc3)c12.
What is the InChIKey of 4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is REWNLPOMFDZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6/c19-15-10-25-18(14(5-20)7-22-25)17(23-15)13-1-2-16(21-6-13)24-8-11-3-12(4-11)9-24/h1-2,6-7,10-12H,3-4,8-9H2.
What are the key properties of 4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 350.81 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 174117085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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