(2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol

C17H19FN4O — CID 45489074

IUPAC(2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1ccnc2c(-c3ccccc3F)cnn12
InChIInChI=1S/C17H19FN4O/c1-11(2)15(10-23)21-16-7-8-19-17-13(9-20-22(16)17)12-5-3-4-6-14(12)18/h3-9,11,15,21,23H,10H2,1-2H3/t15-/m1/s1
InChIKeyLJEVVFKMZZSZPO-OAHLLOKOSA-N
MW314.36 g/mol
LogP2.96
Rot. Bonds5

About (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol

(2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol (PubChem CID 45489074) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol
PubChem CID45489074
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name(2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1ccnc2c(-c3ccccc3F)cnn12
InChIInChI=1S/C17H19FN4O/c1-11(2)15(10-23)21-16-7-8-19-17-13(9-20-22(16)17)12-5-3-4-6-14(12)18/h3-9,11,15,21,23H,10H2,1-2H3/t15-/m1/s1
InChIKeyLJEVVFKMZZSZPO-OAHLLOKOSA-N
XLogP2.96
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-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 (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol (CID 45489074) is (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1ccnc2c(-c3ccccc3F)cnn12.
What is the InChIKey of (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol?
The InChIKey is LJEVVFKMZZSZPO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-11(2)15(10-23)21-16-7-8-19-17-13(9-20-22(16)17)12-5-3-4-6-14(12)18/h3-9,11,15,21,23H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol?
(2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol has a molecular weight of 314.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 45489074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).