4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine

C17H15N5O — CID 22015494

IUPAC4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1
InChIInChI=1S/C17H15N5O/c18-17-20-15(14-7-4-10-23-14)13-11-19-22(16(13)21-17)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,20,21)
InChIKeyYBIVOYNTSZZZBM-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.91
Rot. Bonds4

About 4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine

4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015494) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015494
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1
InChIInChI=1S/C17H15N5O/c18-17-20-15(14-7-4-10-23-14)13-11-19-22(16(13)21-17)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,20,21)
InChIKeyYBIVOYNTSZZZBM-UHFFFAOYSA-N
XLogP2.91
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Preladenant
CID 10117987
Vipadenant
CID 21874557
2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
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
CID 9912318
CID 9912318
Mre 3008-F20
CID 5310960
(11C)Sch 442416
CID 11794633
7-(Furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 6485369
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 22015494) is 4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1.
What is the InChIKey of 4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is YBIVOYNTSZZZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-17-20-15(14-7-4-10-23-14)13-11-19-22(16(13)21-17)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,20,21).
What are the key properties of 4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 305.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).