6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C15H11BrN4O — CID 164920773

IUPAC6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(Oc1cc(Br)cn2ncc(C#N)c12)c1ccccn1
InChIInChI=1S/C15H11BrN4O/c1-10(13-4-2-3-5-18-13)21-14-6-12(16)9-20-15(14)11(7-17)8-19-20/h2-6,8-10H,1H3
InChIKeyBVJIFAFEFMLYQB-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.50
Rot. Bonds3

About 6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920773) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164920773
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(Oc1cc(Br)cn2ncc(C#N)c12)c1ccccn1
InChIInChI=1S/C15H11BrN4O/c1-10(13-4-2-3-5-18-13)21-14-6-12(16)9-20-15(14)11(7-17)8-19-20/h2-6,8-10H,1H3
InChIKeyBVJIFAFEFMLYQB-UHFFFAOYSA-N
XLogP3.50
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920773) is 6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(Oc1cc(Br)cn2ncc(C#N)c12)c1ccccn1.
What is the InChIKey of 6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BVJIFAFEFMLYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c1-10(13-4-2-3-5-18-13)21-14-6-12(16)9-20-15(14)11(7-17)8-19-20/h2-6,8-10H,1H3.
What are the key properties of 6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 343.18 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).