4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine

C18H12ClFN4O — CID 59807407

IUPAC4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c3c(F)nn(-c4ccccc4)c3n2)c1
InChIInChI=1S/C18H12ClFN4O/c1-25-13-9-5-6-11(10-13)17-21-15(19)14-16(20)23-24(18(14)22-17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeySNCSASROSONEOL-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.28
Rot. Bonds3

About 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine

4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 59807407) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID59807407
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC Name4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c3c(F)nn(-c4ccccc4)c3n2)c1
InChIInChI=1S/C18H12ClFN4O/c1-25-13-9-5-6-11(10-13)17-21-15(19)14-16(20)23-24(18(14)22-17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeySNCSASROSONEOL-UHFFFAOYSA-N
XLogP4.28
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-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 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine (CID 59807407) is 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine is COc1cccc(-c2nc(Cl)c3c(F)nn(-c4ccccc4)c3n2)c1.
What is the InChIKey of 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is SNCSASROSONEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c1-25-13-9-5-6-11(10-13)17-21-15(19)14-16(20)23-24(18(14)22-17)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine?
4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 354.77 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 59807407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).