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

C27H23F3N4O2 — CID 138684489

IUPAC2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3Cc3ccccc3F)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C27H23F3N4O2/c1-27(29,30)26(36)32-22-14-24(35)34(25(22)17-7-3-2-4-8-17)20-11-12-23-19(13-20)15-31-33(23)16-18-9-5-6-10-21(18)28/h2-13,15,22,25H,14,16H2,1H3,(H,32,36)/t22-,25+/m0/s1
InChIKeyPWGIHFJUFIBUND-WIOPSUGQSA-N
MW492.50 g/mol
LogP4.84
Rot. Bonds6

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

2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (PubChem CID 138684489) has the molecular formula C27H23F3N4O2 and a molecular weight of 492.50 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
PubChem CID138684489
Molecular FormulaC27H23F3N4O2
Molecular Weight492.50 g/mol
Exact Mass492.18
IUPAC Name2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3Cc3ccccc3F)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C27H23F3N4O2/c1-27(29,30)26(36)32-22-14-24(35)34(25(22)17-7-3-2-4-8-17)20-11-12-23-19(13-20)15-31-33(23)16-18-9-5-6-10-21(18)28/h2-13,15,22,25H,14,16H2,1H3,(H,32,36)/t22-,25+/m0/s1
InChIKeyPWGIHFJUFIBUND-WIOPSUGQSA-N
XLogP4.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 54.84
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-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (CID 138684489) is 2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3Cc3ccccc3F)c2)[C@@H]1c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The InChIKey is PWGIHFJUFIBUND-WIOPSUGQSA-N. The full InChI is InChI=1S/C27H23F3N4O2/c1-27(29,30)26(36)32-22-14-24(35)34(25(22)17-7-3-2-4-8-17)20-11-12-23-19(13-20)15-31-33(23)16-18-9-5-6-10-21(18)28/h2-13,15,22,25H,14,16H2,1H3,(H,32,36)/t22-,25+/m0/s1.
What are the key properties of 2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide has a molecular weight of 492.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138684489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).