3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine

C18H17N5O — CID 24905196

IUPAC3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3occc3c1)nn2C1CCCC1
InChIInChI=1S/C18H17N5O/c19-17-15-16(12-5-6-14-11(9-12)7-8-24-14)22-23(13-3-1-2-4-13)18(15)21-10-20-17/h5-10,13H,1-4H2,(H2,19,20,21)
InChIKeyIVPZQVJSLCFTTO-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.94
Rot. Bonds2

About 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine

3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905196) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905196
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3occc3c1)nn2C1CCCC1
InChIInChI=1S/C18H17N5O/c19-17-15-16(12-5-6-14-11(9-12)7-8-24-14)22-23(13-3-1-2-4-13)18(15)21-10-20-17/h5-10,13H,1-4H2,(H2,19,20,21)
InChIKeyIVPZQVJSLCFTTO-UHFFFAOYSA-N
XLogP3.94
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Umbralisib
CID 72950888
7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(3-(4-methoxyphenyl)propyl)-
CID 10668061
(11C)Sch 442416
CID 11794633
Pci 29732
CID 22347110
CID 139482772
CID 139482772
1-[4-[4-(Furan-2-yl)phenyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 56678499
4-(Furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9818556
A2A receptor antagonist 1
CID 9879687
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
1-[(2,6-Difluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9967146
6-(furan-3-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224367

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905196) is 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc3occc3c1)nn2C1CCCC1.
What is the InChIKey of 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IVPZQVJSLCFTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-17-15-16(12-5-6-14-11(9-12)7-8-24-14)22-23(13-3-1-2-4-13)18(15)21-10-20-17/h5-10,13H,1-4H2,(H2,19,20,21).
What are the key properties of 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 319.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).