[5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol

C17H14FN5O2 — CID 23381185

IUPAC[5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol
SMILESNc1ncnc2c1c(-c1ccc(CO)o1)nn2Cc1ccccc1F
InChIInChI=1S/C17H14FN5O2/c18-12-4-2-1-3-10(12)7-23-17-14(16(19)20-9-21-17)15(22-23)13-6-5-11(8-24)25-13/h1-6,9,24H,7-8H2,(H2,19,20,21)
InChIKeyPHKAUKUONRSXHZ-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.35
Rot. Bonds4

About [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol

[5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol (PubChem CID 23381185) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol
PubChem CID23381185
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name[5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol
SMILESNc1ncnc2c1c(-c1ccc(CO)o1)nn2Cc1ccccc1F
InChIInChI=1S/C17H14FN5O2/c18-12-4-2-1-3-10(12)7-23-17-14(16(19)20-9-21-17)15(22-23)13-6-5-11(8-24)25-13/h1-6,9,24H,7-8H2,(H2,19,20,21)
InChIKeyPHKAUKUONRSXHZ-UHFFFAOYSA-N
XLogP2.35
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol with MolForge

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Related Compounds

6-Amino-N-benzyl-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 22015504
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
4-(Furan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015485
4-(Furan-2-yl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015494
1-(3-Aminobenzyl)-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015499
1-[(2-Aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015508
4-(2-Furyl)-N-(2-hydroxyethyl)-1-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015525
Methyl 3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoate
CID 22015530

Frequently Asked Questions

What is the IUPAC name of [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol?
The IUPAC name of [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol (CID 23381185) is [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol is Nc1ncnc2c1c(-c1ccc(CO)o1)nn2Cc1ccccc1F.
What is the InChIKey of [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol?
The InChIKey is PHKAUKUONRSXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c18-12-4-2-1-3-10(12)7-23-17-14(16(19)20-9-21-17)15(22-23)13-6-5-11(8-24)25-13/h1-6,9,24H,7-8H2,(H2,19,20,21).
What are the key properties of [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol?
[5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol has a molecular weight of 339.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-amino-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]furan-2-yl]methanol is sourced from PubChem (CID 23381185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).