3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine

C7H7ClN4 — CID 175634519

IUPAC3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine
SMILESCNc1cncc2n[nH]c(Cl)c12
InChIInChI=1S/C7H7ClN4/c1-9-4-2-10-3-5-6(4)7(8)12-11-5/h2-3,9H,1H3,(H,11,12)
InChIKeyROXNDOBXNJNOQX-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.65
Rot. Bonds1

About 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine

3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine (PubChem CID 175634519) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine
PubChem CID175634519
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine
SMILESCNc1cncc2n[nH]c(Cl)c12
InChIInChI=1S/C7H7ClN4/c1-9-4-2-10-3-5-6(4)7(8)12-11-5/h2-3,9H,1H3,(H,11,12)
InChIKeyROXNDOBXNJNOQX-UHFFFAOYSA-N
XLogP1.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine?
The IUPAC name of 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine (CID 175634519) is 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine is CNc1cncc2n[nH]c(Cl)c12.
What is the InChIKey of 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine?
The InChIKey is ROXNDOBXNJNOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-9-4-2-10-3-5-6(4)7(8)12-11-5/h2-3,9H,1H3,(H,11,12).
What are the key properties of 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine?
3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine has a molecular weight of 182.61 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine is sourced from PubChem (CID 175634519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).