4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile

C10H8N4 — CID 170799835

IUPAC4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile
SMILESN#CCC=Cc1cc2cn[nH]c2cn1
InChIInChI=1S/C10H8N4/c11-4-2-1-3-9-5-8-6-13-14-10(8)7-12-9/h1,3,5-7H,2H2,(H,13,14)
InChIKeyJBJCYZRSPZIVDT-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.88
Rot. Bonds2

About 4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile

4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile (PubChem CID 170799835) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile.

Molecular Properties

Compound Name4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile
PubChem CID170799835
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile
SMILESN#CCC=Cc1cc2cn[nH]c2cn1
InChIInChI=1S/C10H8N4/c11-4-2-1-3-9-5-8-6-13-14-10(8)7-12-9/h1,3,5-7H,2H2,(H,13,14)
InChIKeyJBJCYZRSPZIVDT-UHFFFAOYSA-N
XLogP1.88
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile?
The IUPAC name of 4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile (CID 170799835) is 4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile.
What is the SMILES notation for 4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile?
The canonical SMILES for 4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile is N#CCC=Cc1cc2cn[nH]c2cn1.
What is the InChIKey of 4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile?
The InChIKey is JBJCYZRSPZIVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-4-2-1-3-9-5-8-6-13-14-10(8)7-12-9/h1,3,5-7H,2H2,(H,13,14).
What are the key properties of 4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile?
4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile has a molecular weight of 184.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile is sourced from PubChem (CID 170799835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).