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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Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539410
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783
5-[(4-Methoxyphenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10380992
(5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10731528
5-methyl-N-[3-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11174936
6-Amino-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 22179488
5-methyl-4-(4-phenoxyphenylamino)H-pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 22179532

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).