2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol

C17H20FN7O — CID 73355007

IUPAC2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)CC1
InChIInChI=1S/C17H20FN7O/c18-12-1-3-13(4-2-12)20-15-14-11-19-23-16(14)22-17(21-15)25-7-5-24(6-8-25)9-10-26/h1-4,11,26H,5-10H2,(H2,19,20,21,22,23)
InChIKeyDIMLKEYFPZRTJO-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.35
Rot. Bonds5

About 2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol

2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol (PubChem CID 73355007) has the molecular formula C17H20FN7O and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
PubChem CID73355007
Molecular FormulaC17H20FN7O
Molecular Weight357.39 g/mol
Exact Mass357.17
IUPAC Name2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)CC1
InChIInChI=1S/C17H20FN7O/c18-12-1-3-13(4-2-12)20-15-14-11-19-23-16(14)22-17(21-15)25-7-5-24(6-8-25)9-10-26/h1-4,11,26H,5-10H2,(H2,19,20,21,22,23)
InChIKeyDIMLKEYFPZRTJO-UHFFFAOYSA-N
XLogP1.35
TPSA93.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol (CID 73355007) is 2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)CC1.
What is the InChIKey of 2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol?
The InChIKey is DIMLKEYFPZRTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7O/c18-12-1-3-13(4-2-12)20-15-14-11-19-23-16(14)22-17(21-15)25-7-5-24(6-8-25)9-10-26/h1-4,11,26H,5-10H2,(H2,19,20,21,22,23).
What are the key properties of 2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol?
2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol has a molecular weight of 357.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluoroanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 73355007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).