4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine

C19H14ClFN4O — CID 155811941

IUPAC4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-c2nc(Cl)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H14ClFN4O/c1-11-16-17(20)22-18(12-3-9-15(26-2)10-4-12)23-19(16)25(24-11)14-7-5-13(21)6-8-14/h3-10H,1-2H3
InChIKeyTWKYJWBUBCQTCY-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.59
Rot. Bonds3

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

4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 155811941) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine
PubChem CID155811941
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-c2nc(Cl)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H14ClFN4O/c1-11-16-17(20)22-18(12-3-9-15(26-2)10-4-12)23-19(16)25(24-11)14-7-5-13(21)6-8-14/h3-10H,1-2H3
InChIKeyTWKYJWBUBCQTCY-UHFFFAOYSA-N
XLogP4.59
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine (CID 155811941) is 4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine is COc1ccc(-c2nc(Cl)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is TWKYJWBUBCQTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c1-11-16-17(20)22-18(12-3-9-15(26-2)10-4-12)23-19(16)25(24-11)14-7-5-13(21)6-8-14/h3-10H,1-2H3.
What are the key properties of 4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine?
4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 368.80 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 155811941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).