N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H19N5O — CID 940294

IUPACN-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5O/c1-23-14-8-6-13(7-9-14)22-17-15(10-20-22)16(18-11-19-17)21-12-4-2-3-5-12/h6-12H,2-5H2,1H3,(H,18,19,21)
InChIKeyILRGFUUSQBWGRX-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.18
Rot. Bonds4

About N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 940294) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID940294
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5O/c1-23-14-8-6-13(7-9-14)22-17-15(10-20-22)16(18-11-19-17)21-12-4-2-3-5-12/h6-12H,2-5H2,1H3,(H,18,19,21)
InChIKeyILRGFUUSQBWGRX-UHFFFAOYSA-N
XLogP3.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 940294) is N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1.
What is the InChIKey of N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ILRGFUUSQBWGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-23-14-8-6-13(7-9-14)22-17-15(10-20-22)16(18-11-19-17)21-12-4-2-3-5-12/h6-12H,2-5H2,1H3,(H,18,19,21).
What are the key properties of N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 940294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).