2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide

C21H19N5O — CID 164610432

IUPAC2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide
SMILESCOc1ccc(Cn2cc3cc(/C(N)=N/c4ccccc4)ncc3n2)cc1
InChIInChI=1S/C21H19N5O/c1-27-18-9-7-15(8-10-18)13-26-14-16-11-19(23-12-20(16)25-26)21(22)24-17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H2,22,24)
InChIKeyKEJVFZXHPDQVKW-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.53
Rot. Bonds5

About 2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide

2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide (PubChem CID 164610432) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide
PubChem CID164610432
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide
SMILESCOc1ccc(Cn2cc3cc(/C(N)=N/c4ccccc4)ncc3n2)cc1
InChIInChI=1S/C21H19N5O/c1-27-18-9-7-15(8-10-18)13-26-14-16-11-19(23-12-20(16)25-26)21(22)24-17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H2,22,24)
InChIKeyKEJVFZXHPDQVKW-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 2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide (CID 164610432) is 2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide is COc1ccc(Cn2cc3cc(/C(N)=N/c4ccccc4)ncc3n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The InChIKey is KEJVFZXHPDQVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-27-18-9-7-15(8-10-18)13-26-14-16-11-19(23-12-20(16)25-26)21(22)24-17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H2,22,24).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
2-[(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 2-[(4-methoxyphenyl)methyl]-N'-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide is sourced from PubChem (CID 164610432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).