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

C26H21F3N4O2 — CID 138684588

IUPAC2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1c1ccccc1
InChIInChI=1S/C26H21F3N4O2/c1-26(28,29)25(35)31-21-14-23(34)32(24(21)16-5-3-2-4-6-16)20-11-12-22-17(13-20)15-30-33(22)19-9-7-18(27)8-10-19/h2-13,15,21,24H,14H2,1H3,(H,31,35)
InChIKeyGOLPTMJECXBNMS-UHFFFAOYSA-N
MW478.47 g/mol
LogP4.78
Rot. Bonds5

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

2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (PubChem CID 138684588) has the molecular formula C26H21F3N4O2 and a molecular weight of 478.47 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
PubChem CID138684588
Molecular FormulaC26H21F3N4O2
Molecular Weight478.47 g/mol
Exact Mass478.16
IUPAC Name2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1c1ccccc1
InChIInChI=1S/C26H21F3N4O2/c1-26(28,29)25(35)31-21-14-23(34)32(24(21)16-5-3-2-4-6-16)20-11-12-22-17(13-20)15-30-33(22)19-9-7-18(27)8-10-19/h2-13,15,21,24H,14H2,1H3,(H,31,35)
InChIKeyGOLPTMJECXBNMS-UHFFFAOYSA-N
XLogP4.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.78
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-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (CID 138684588) is 2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The InChIKey is GOLPTMJECXBNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2/c1-26(28,29)25(35)31-21-14-23(34)32(24(21)16-5-3-2-4-6-16)20-11-12-22-17(13-20)15-30-33(22)19-9-7-18(27)8-10-19/h2-13,15,21,24H,14H2,1H3,(H,31,35).
What are the key properties of 2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide has a molecular weight of 478.47 g/mol, XLogP of 4.78, 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-[1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138684588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).