4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine

C14H11Cl2N3O — CID 90391274

IUPAC4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2ncc3c(Cl)cc(Cl)nc32)cc1
InChIInChI=1S/C14H11Cl2N3O/c1-20-10-4-2-9(3-5-10)8-19-14-11(7-17-19)12(15)6-13(16)18-14/h2-7H,8H2,1H3
InChIKeyPBNRTKSPIXXPFZ-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.80
Rot. Bonds3

About 4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine

4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine (PubChem CID 90391274) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
PubChem CID90391274
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2ncc3c(Cl)cc(Cl)nc32)cc1
InChIInChI=1S/C14H11Cl2N3O/c1-20-10-4-2-9(3-5-10)8-19-14-11(7-17-19)12(15)6-13(16)18-14/h2-7H,8H2,1H3
InChIKeyPBNRTKSPIXXPFZ-UHFFFAOYSA-N
XLogP3.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine (CID 90391274) is 4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine is COc1ccc(Cn2ncc3c(Cl)cc(Cl)nc32)cc1.
What is the InChIKey of 4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is PBNRTKSPIXXPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-20-10-4-2-9(3-5-10)8-19-14-11(7-17-19)12(15)6-13(16)18-14/h2-7H,8H2,1H3.
What are the key properties of 4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine?
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 308.17 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 90391274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).