1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine

C15H13Cl2N3O — CID 70987254

IUPAC1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine
SMILESCOc1ccc2c(n1)c(C)nn2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-9-15-13(5-6-14(18-15)21-2)20(19-9)8-10-3-4-11(16)7-12(10)17/h3-7H,8H2,1-2H3
InChIKeyNXOWBTFAUZBZIM-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.10
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine

1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine (PubChem CID 70987254) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine
PubChem CID70987254
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine
SMILESCOc1ccc2c(n1)c(C)nn2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-9-15-13(5-6-14(18-15)21-2)20(19-9)8-10-3-4-11(16)7-12(10)17/h3-7H,8H2,1-2H3
InChIKeyNXOWBTFAUZBZIM-UHFFFAOYSA-N
XLogP4.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine (CID 70987254) is 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine is COc1ccc2c(n1)c(C)nn2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine?
The InChIKey is NXOWBTFAUZBZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-9-15-13(5-6-14(18-15)21-2)20(19-9)8-10-3-4-11(16)7-12(10)17/h3-7H,8H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine?
1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine has a molecular weight of 322.20 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-3-methylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 70987254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).