2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide

C26H20F4N4O2 — CID 138684514

IUPAC2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1c1ccc(F)cc1
InChIInChI=1S/C26H20F4N4O2/c1-26(29,30)25(36)32-21-13-23(35)33(24(21)15-2-4-17(27)5-3-15)20-10-11-22-16(12-20)14-31-34(22)19-8-6-18(28)7-9-19/h2-12,14,21,24H,13H2,1H3,(H,32,36)
InChIKeyOSKSSNOYUIFSQF-UHFFFAOYSA-N
MW496.46 g/mol
LogP4.92
Rot. Bonds5

About 2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide

2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 138684514) has the molecular formula C26H20F4N4O2 and a molecular weight of 496.46 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
PubChem CID138684514
Molecular FormulaC26H20F4N4O2
Molecular Weight496.46 g/mol
Exact Mass496.15
IUPAC Name2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1c1ccc(F)cc1
InChIInChI=1S/C26H20F4N4O2/c1-26(29,30)25(36)32-21-13-23(35)33(24(21)15-2-4-17(27)5-3-15)20-10-11-22-16(12-20)14-31-34(22)19-8-6-18(28)7-9-19/h2-12,14,21,24H,13H2,1H3,(H,32,36)
InChIKeyOSKSSNOYUIFSQF-UHFFFAOYSA-N
XLogP4.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide (CID 138684514) is 2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1c1ccc(F)cc1.
What is the InChIKey of 2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is OSKSSNOYUIFSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N4O2/c1-26(29,30)25(36)32-21-13-23(35)33(24(21)15-2-4-17(27)5-3-15)20-10-11-22-16(12-20)14-31-34(22)19-8-6-18(28)7-9-19/h2-12,14,21,24H,13H2,1H3,(H,32,36).
What are the key properties of 2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 496.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138684514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).