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

C26H20F4N4O2 — CID 138684581

IUPAC2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H]1c1ccccc1F
InChIInChI=1S/C26H20F4N4O2/c1-26(29,30)25(36)32-21-13-23(35)33(24(21)19-4-2-3-5-20(19)28)18-10-11-22-15(12-18)14-31-34(22)17-8-6-16(27)7-9-17/h2-12,14,21,24H,13H2,1H3,(H,32,36)/t21-,24+/m1/s1
InChIKeyOCQQZNGMVUVAIP-QPPBQGQZSA-N
MW496.46 g/mol
LogP4.92
Rot. Bonds5

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

2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 138684581) has the molecular formula C26H20F4N4O2 and a molecular weight of 496.46 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
PubChem CID138684581
Molecular FormulaC26H20F4N4O2
Molecular Weight496.46 g/mol
Exact Mass496.15
IUPAC Name2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H]1c1ccccc1F
InChIInChI=1S/C26H20F4N4O2/c1-26(29,30)25(36)32-21-13-23(35)33(24(21)19-4-2-3-5-20(19)28)18-10-11-22-15(12-18)14-31-34(22)17-8-6-16(27)7-9-17/h2-12,14,21,24H,13H2,1H3,(H,32,36)/t21-,24+/m1/s1
InChIKeyOCQQZNGMVUVAIP-QPPBQGQZSA-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-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide (CID 138684581) is 2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H]1c1ccccc1F.
What is the InChIKey of 2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is OCQQZNGMVUVAIP-QPPBQGQZSA-N. The full InChI is InChI=1S/C26H20F4N4O2/c1-26(29,30)25(36)32-21-13-23(35)33(24(21)19-4-2-3-5-20(19)28)18-10-11-22-15(12-18)14-31-34(22)17-8-6-16(27)7-9-17/h2-12,14,21,24H,13H2,1H3,(H,32,36)/t21-,24+/m1/s1.
What are the key properties of 2,2-difluoro-N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2S,3R)-2-(2-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-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138684581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).