2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile

C11H8N4 — CID 167522499

IUPAC2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile
SMILESC#Cc1cccn2ncc(C(N)C#N)c12
InChIInChI=1S/C11H8N4/c1-2-8-4-3-5-15-11(8)9(7-14-15)10(13)6-12/h1,3-5,7,10H,13H2
InChIKeyUBBPXTXZBOZDIT-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.84
Rot. Bonds1

About 2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile

2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile (PubChem CID 167522499) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile
PubChem CID167522499
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile
SMILESC#Cc1cccn2ncc(C(N)C#N)c12
InChIInChI=1S/C11H8N4/c1-2-8-4-3-5-15-11(8)9(7-14-15)10(13)6-12/h1,3-5,7,10H,13H2
InChIKeyUBBPXTXZBOZDIT-UHFFFAOYSA-N
XLogP0.84
TPSA67.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile?
The IUPAC name of 2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile (CID 167522499) is 2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile is C#Cc1cccn2ncc(C(N)C#N)c12.
What is the InChIKey of 2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile?
The InChIKey is UBBPXTXZBOZDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-8-4-3-5-15-11(8)9(7-14-15)10(13)6-12/h1,3-5,7,10H,13H2.
What are the key properties of 2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile?
2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile has a molecular weight of 196.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethynylpyrazolo[1,5-a]pyridin-3-yl)acetonitrile is sourced from PubChem (CID 167522499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).