(4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine

C28H25FN4O — CID 2538108

IUPAC(4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C(c3ccccc3F)N2C2CC2)cc1
InChIInChI=1S/C28H25FN4O/c1-18-25-26(19-12-16-22(34-2)17-13-19)32(20-14-15-20)27(23-10-6-7-11-24(23)29)30-28(25)33(31-18)21-8-4-3-5-9-21/h3-13,16-17,20,26H,14-15H2,1-2H3/t26-/m1/s1
InChIKeyOSDFIKJZULNZAN-AREMUKBSSA-N
MW452.53 g/mol
LogP5.97
Rot. Bonds5

About (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine

(4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine (PubChem CID 2538108) has the molecular formula C28H25FN4O and a molecular weight of 452.53 g/mol. Its IUPAC name is (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name(4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine
PubChem CID2538108
Molecular FormulaC28H25FN4O
Molecular Weight452.53 g/mol
Exact Mass452.20
IUPAC Name(4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C(c3ccccc3F)N2C2CC2)cc1
InChIInChI=1S/C28H25FN4O/c1-18-25-26(19-12-16-22(34-2)17-13-19)32(20-14-15-20)27(23-10-6-7-11-24(23)29)30-28(25)33(31-18)21-8-4-3-5-9-21/h3-13,16-17,20,26H,14-15H2,1-2H3/t26-/m1/s1
InChIKeyOSDFIKJZULNZAN-AREMUKBSSA-N
XLogP5.97
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[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 (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine (CID 2538108) is (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine is COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C(c3ccccc3F)N2C2CC2)cc1.
What is the InChIKey of (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is OSDFIKJZULNZAN-AREMUKBSSA-N. The full InChI is InChI=1S/C28H25FN4O/c1-18-25-26(19-12-16-22(34-2)17-13-19)32(20-14-15-20)27(23-10-6-7-11-24(23)29)30-28(25)33(31-18)21-8-4-3-5-9-21/h3-13,16-17,20,26H,14-15H2,1-2H3/t26-/m1/s1.
What are the key properties of (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine?
(4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 452.53 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 2538108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).