3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine

C23H22N4O — CID 22037819

IUPAC3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine
SMILESNc1nccc2c(C3CCCC3)nn(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C23H22N4O/c24-23-22-20(14-15-25-23)21(16-6-4-5-7-16)26-27(22)17-10-12-19(13-11-17)28-18-8-2-1-3-9-18/h1-3,8-16H,4-7H2,(H2,24,25)
InChIKeyCRLVZFXLLKSNBA-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.45
Rot. Bonds4

About 3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine

3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine (PubChem CID 22037819) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine
PubChem CID22037819
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine
SMILESNc1nccc2c(C3CCCC3)nn(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C23H22N4O/c24-23-22-20(14-15-25-23)21(16-6-4-5-7-16)26-27(22)17-10-12-19(13-11-17)28-18-8-2-1-3-9-18/h1-3,8-16H,4-7H2,(H2,24,25)
InChIKeyCRLVZFXLLKSNBA-UHFFFAOYSA-N
XLogP5.45
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine?
The IUPAC name of 3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine (CID 22037819) is 3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine.
What is the SMILES notation for 3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine?
The canonical SMILES for 3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine is Nc1nccc2c(C3CCCC3)nn(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine?
The InChIKey is CRLVZFXLLKSNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-23-22-20(14-15-25-23)21(16-6-4-5-7-16)26-27(22)17-10-12-19(13-11-17)28-18-8-2-1-3-9-18/h1-3,8-16H,4-7H2,(H2,24,25).
What are the key properties of 3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine?
3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine has a molecular weight of 370.46 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine is sourced from PubChem (CID 22037819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).