1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide

C21H19N5O — CID 164622326

IUPAC1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide
SMILESCOc1ccc(Cn2ncc3cc(/C(N)=N/c4ccccc4)ncc32)cc1
InChIInChI=1S/C21H19N5O/c1-27-18-9-7-15(8-10-18)14-26-20-13-23-19(11-16(20)12-24-26)21(22)25-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H2,22,25)
InChIKeyQTECYCHOHFUOPM-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.53
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide

1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide (PubChem CID 164622326) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide
PubChem CID164622326
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide
SMILESCOc1ccc(Cn2ncc3cc(/C(N)=N/c4ccccc4)ncc32)cc1
InChIInChI=1S/C21H19N5O/c1-27-18-9-7-15(8-10-18)14-26-20-13-23-19(11-16(20)12-24-26)21(22)25-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H2,22,25)
InChIKeyQTECYCHOHFUOPM-UHFFFAOYSA-N
XLogP3.53
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide (CID 164622326) is 1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide is COc1ccc(Cn2ncc3cc(/C(N)=N/c4ccccc4)ncc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The InChIKey is QTECYCHOHFUOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-27-18-9-7-15(8-10-18)14-26-20-13-23-19(11-16(20)12-24-26)21(22)25-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H2,22,25).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide has a molecular weight of 357.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide is sourced from PubChem (CID 164622326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).