5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine

C12H9ClN4 — CID 134151786

IUPAC5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine
SMILESClc1cc2cn[nH]c2c(Nc2ccccc2)n1
InChIInChI=1S/C12H9ClN4/c13-10-6-8-7-14-17-11(8)12(16-10)15-9-4-2-1-3-5-9/h1-7H,(H,14,17)(H,15,16)
InChIKeyXREMNVJBFHCRDZ-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.35
Rot. Bonds2

About 5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine

5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine (PubChem CID 134151786) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine
PubChem CID134151786
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine
SMILESClc1cc2cn[nH]c2c(Nc2ccccc2)n1
InChIInChI=1S/C12H9ClN4/c13-10-6-8-7-14-17-11(8)12(16-10)15-9-4-2-1-3-5-9/h1-7H,(H,14,17)(H,15,16)
InChIKeyXREMNVJBFHCRDZ-UHFFFAOYSA-N
XLogP3.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine?
The IUPAC name of 5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine (CID 134151786) is 5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine is Clc1cc2cn[nH]c2c(Nc2ccccc2)n1.
What is the InChIKey of 5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine?
The InChIKey is XREMNVJBFHCRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-10-6-8-7-14-17-11(8)12(16-10)15-9-4-2-1-3-5-9/h1-7H,(H,14,17)(H,15,16).
What are the key properties of 5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine?
5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine has a molecular weight of 244.69 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-phenyl-1H-pyrazolo[3,4-c]pyridin-7-amine is sourced from PubChem (CID 134151786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).