3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide

C22H21N5O — CID 175156656

IUPAC3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(C)nn(-c3ccccc3)c2nc1OC(C)c1ccccc1
InChIInChI=1S/C22H21N5O/c1-14-18-13-19(20(23)24)22(28-15(2)16-9-5-3-6-10-16)25-21(18)27(26-14)17-11-7-4-8-12-17/h3-13,15H,1-2H3,(H3,23,24)
InChIKeyWFRKYDWNKNDTFC-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.15
Rot. Bonds5

About 3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide

3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide (PubChem CID 175156656) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide
PubChem CID175156656
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(C)nn(-c3ccccc3)c2nc1OC(C)c1ccccc1
InChIInChI=1S/C22H21N5O/c1-14-18-13-19(20(23)24)22(28-15(2)16-9-5-3-6-10-16)25-21(18)27(26-14)17-11-7-4-8-12-17/h3-13,15H,1-2H3,(H3,23,24)
InChIKeyWFRKYDWNKNDTFC-UHFFFAOYSA-N
XLogP4.15
TPSA89.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
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 3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide?
The IUPAC name of 3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide (CID 175156656) is 3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide.
What is the SMILES notation for 3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide?
The canonical SMILES for 3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide is [H]/N=C(\N)c1cc2c(C)nn(-c3ccccc3)c2nc1OC(C)c1ccccc1.
What is the InChIKey of 3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide?
The InChIKey is WFRKYDWNKNDTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-18-13-19(20(23)24)22(28-15(2)16-9-5-3-6-10-16)25-21(18)27(26-14)17-11-7-4-8-12-17/h3-13,15H,1-2H3,(H3,23,24).
What are the key properties of 3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide?
3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide has a molecular weight of 371.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-6-(1-phenylethoxy)pyrazolo[3,4-b]pyridine-5-carboximidamide is sourced from PubChem (CID 175156656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).