3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol

C17H19FN6O — CID 175157355

IUPAC3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
SMILESNc1nc(NC2CCCC(O)C2)c2c(F)cc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H19FN6O/c18-12-6-9(13-4-5-20-24-13)7-14-15(12)16(23-17(19)22-14)21-10-2-1-3-11(25)8-10/h4-7,10-11,25H,1-3,8H2,(H,20,24)(H3,19,21,22,23)
InChIKeyKFKLLXOGZMZVPZ-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.46
Rot. Bonds3

About 3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol

3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol (PubChem CID 175157355) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
PubChem CID175157355
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
SMILESNc1nc(NC2CCCC(O)C2)c2c(F)cc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H19FN6O/c18-12-6-9(13-4-5-20-24-13)7-14-15(12)16(23-17(19)22-14)21-10-2-1-3-11(25)8-10/h4-7,10-11,25H,1-3,8H2,(H,20,24)(H3,19,21,22,23)
InChIKeyKFKLLXOGZMZVPZ-UHFFFAOYSA-N
XLogP2.46
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol (CID 175157355) is 3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol is Nc1nc(NC2CCCC(O)C2)c2c(F)cc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is KFKLLXOGZMZVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c18-12-6-9(13-4-5-20-24-13)7-14-15(12)16(23-17(19)22-14)21-10-2-1-3-11(25)8-10/h4-7,10-11,25H,1-3,8H2,(H,20,24)(H3,19,21,22,23).
What are the key properties of 3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol?
3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 342.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 175157355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).