5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine

C21H15FN6O — CID 134326934

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(-c4ccccc4)c3)c2n1
InChIInChI=1S/C21H15FN6O/c1-29-17-9-5-8-15(22)18(17)21-23-11-16-20(25-21)19(27-26-16)13-10-24-28(12-13)14-6-3-2-4-7-14/h2-12H,1H3,(H,26,27)
InChIKeyLCJDSWCQPJLNFV-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.02
Rot. Bonds4

About 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine

5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 134326934) has the molecular formula C21H15FN6O and a molecular weight of 386.39 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine
PubChem CID134326934
Molecular FormulaC21H15FN6O
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(-c4ccccc4)c3)c2n1
InChIInChI=1S/C21H15FN6O/c1-29-17-9-5-8-15(22)18(17)21-23-11-16-20(25-21)19(27-26-16)13-10-24-28(12-13)14-6-3-2-4-7-14/h2-12H,1H3,(H,26,27)
InChIKeyLCJDSWCQPJLNFV-UHFFFAOYSA-N
XLogP4.02
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine 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 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine (CID 134326934) is 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine is COc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(-c4ccccc4)c3)c2n1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is LCJDSWCQPJLNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6O/c1-29-17-9-5-8-15(22)18(17)21-23-11-16-20(25-21)19(27-26-16)13-10-24-28(12-13)14-6-3-2-4-7-14/h2-12H,1H3,(H,26,27).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine?
5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 386.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 134326934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).