4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one

C22H20FN3O3 — CID 35433102

IUPAC4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@H](O)COc1ccccc1F
InChIInChI=1S/C22H20FN3O3/c1-15-11-22(28)26-21(12-19(24-26)16-7-3-2-4-8-16)25(15)13-17(27)14-29-20-10-6-5-9-18(20)23/h2-12,17,27H,13-14H2,1H3/t17-/m0/s1
InChIKeyLRHAPZZNSVYUMN-KRWDZBQOSA-N
MW393.42 g/mol
LogP3.05
Rot. Bonds6

About 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one

4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 35433102) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID35433102
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@H](O)COc1ccccc1F
InChIInChI=1S/C22H20FN3O3/c1-15-11-22(28)26-21(12-19(24-26)16-7-3-2-4-8-16)25(15)13-17(27)14-29-20-10-6-5-9-18(20)23/h2-12,17,27H,13-14H2,1H3/t17-/m0/s1
InChIKeyLRHAPZZNSVYUMN-KRWDZBQOSA-N
XLogP3.05
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one 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 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one (CID 35433102) is 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@H](O)COc1ccccc1F.
What is the InChIKey of 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LRHAPZZNSVYUMN-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-15-11-22(28)26-21(12-19(24-26)16-7-3-2-4-8-16)25(15)13-17(27)14-29-20-10-6-5-9-18(20)23/h2-12,17,27H,13-14H2,1H3/t17-/m0/s1.
What are the key properties of 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one?
4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 393.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 35433102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).