1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol

C16H15FN6O — CID 170386311

IUPAC1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol
SMILESCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)c(F)cc3c2n1
InChIInChI=1S/C16H15FN6O/c1-8(24)6-23-7-11-15(22-23)10-4-12(17)9(13-2-3-19-21-13)5-14(10)20-16(11)18/h2-5,7-8,24H,6H2,1H3,(H2,18,20)(H,19,21)
InChIKeyWJRABIQMIWEMIO-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.08
Rot. Bonds3

About 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol

1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol (PubChem CID 170386311) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol
PubChem CID170386311
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Name1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol
SMILESCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)c(F)cc3c2n1
InChIInChI=1S/C16H15FN6O/c1-8(24)6-23-7-11-15(22-23)10-4-12(17)9(13-2-3-19-21-13)5-14(10)20-16(11)18/h2-5,7-8,24H,6H2,1H3,(H2,18,20)(H,19,21)
InChIKeyWJRABIQMIWEMIO-UHFFFAOYSA-N
XLogP2.08
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol?
The IUPAC name of 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol (CID 170386311) is 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol?
The canonical SMILES for 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol is CC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)c(F)cc3c2n1.
What is the InChIKey of 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol?
The InChIKey is WJRABIQMIWEMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-8(24)6-23-7-11-15(22-23)10-4-12(17)9(13-2-3-19-21-13)5-14(10)20-16(11)18/h2-5,7-8,24H,6H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol?
1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol has a molecular weight of 326.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-8-fluoro-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol is sourced from PubChem (CID 170386311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).