4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine

C7H10ClN3 — CID 171459606

IUPAC4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine
SMILESCn1ncc2c1CCCN2Cl
InChIInChI=1S/C7H10ClN3/c1-10-6-3-2-4-11(8)7(6)5-9-10/h5H,2-4H2,1H3
InChIKeyWJKSMGJFAHIQCF-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.33
Rot. Bonds

About 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine

4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine (PubChem CID 171459606) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine
PubChem CID171459606
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine
SMILESCn1ncc2c1CCCN2Cl
InChIInChI=1S/C7H10ClN3/c1-10-6-3-2-4-11(8)7(6)5-9-10/h5H,2-4H2,1H3
InChIKeyWJKSMGJFAHIQCF-UHFFFAOYSA-N
XLogP1.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine 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 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine?
The IUPAC name of 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine (CID 171459606) is 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine?
The canonical SMILES for 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine is Cn1ncc2c1CCCN2Cl.
What is the InChIKey of 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine?
The InChIKey is WJKSMGJFAHIQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-10-6-3-2-4-11(8)7(6)5-9-10/h5H,2-4H2,1H3.
What are the key properties of 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine?
4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine has a molecular weight of 171.63 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 171459606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).