3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide

C26H23FN4O — CID 156694001

IUPAC3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide
SMILESCN1Cc2nn(Cc3cccc(-c4cccc(C(N)=O)c4)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C26H23FN4O/c1-30-15-22-24(16-30)29-31(25(22)21-10-2-3-11-23(21)27)14-17-6-4-7-18(12-17)19-8-5-9-20(13-19)26(28)32/h2-13H,14-16H2,1H3,(H2,28,32)
InChIKeyLGPYOKZMSVIUGM-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.45
Rot. Bonds5

About 3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide

3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide (PubChem CID 156694001) has the molecular formula C26H23FN4O and a molecular weight of 426.50 g/mol. Its IUPAC name is 3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide
PubChem CID156694001
Molecular FormulaC26H23FN4O
Molecular Weight426.50 g/mol
Exact Mass426.19
IUPAC Name3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide
SMILESCN1Cc2nn(Cc3cccc(-c4cccc(C(N)=O)c4)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C26H23FN4O/c1-30-15-22-24(16-30)29-31(25(22)21-10-2-3-11-23(21)27)14-17-6-4-7-18(12-17)19-8-5-9-20(13-19)26(28)32/h2-13H,14-16H2,1H3,(H2,28,32)
InChIKeyLGPYOKZMSVIUGM-UHFFFAOYSA-N
XLogP4.45
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide?
The IUPAC name of 3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide (CID 156694001) is 3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide?
The canonical SMILES for 3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide is CN1Cc2nn(Cc3cccc(-c4cccc(C(N)=O)c4)c3)c(-c3ccccc3F)c2C1.
What is the InChIKey of 3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide?
The InChIKey is LGPYOKZMSVIUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O/c1-30-15-22-24(16-30)29-31(25(22)21-10-2-3-11-23(21)27)14-17-6-4-7-18(12-17)19-8-5-9-20(13-19)26(28)32/h2-13H,14-16H2,1H3,(H2,28,32).
What are the key properties of 3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide?
3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide has a molecular weight of 426.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 156694001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).