(4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C22H22FN3O2 — CID 170421738

IUPAC(4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(N2C(=O)c3n[nH]c(CC(C)C)c3[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN3O2/c1-13(2)12-18-19-20(25-24-18)22(27)26(16-8-10-17(28-3)11-9-16)21(19)14-4-6-15(23)7-5-14/h4-11,13,21H,12H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyQDQLKROSVHVIJL-OAQYLSRUSA-N
MW379.44 g/mol
LogP4.51
Rot. Bonds5

About (4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

(4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 170421738) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is (4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID170421738
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name(4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(N2C(=O)c3n[nH]c(CC(C)C)c3[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN3O2/c1-13(2)12-18-19-20(25-24-18)22(27)26(16-8-10-17(28-3)11-9-16)21(19)14-4-6-15(23)7-5-14/h4-11,13,21H,12H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyQDQLKROSVHVIJL-OAQYLSRUSA-N
XLogP4.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 170421738) is (4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccc(N2C(=O)c3n[nH]c(CC(C)C)c3[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is QDQLKROSVHVIJL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-13(2)12-18-19-20(25-24-18)22(27)26(16-8-10-17(28-3)11-9-16)21(19)14-4-6-15(23)7-5-14/h4-11,13,21H,12H2,1-3H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
(4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 379.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-(2-methylpropyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 170421738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).