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

C26H28F2N4O2 — CID 155225001

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(C(N)=O)C1CC(=O)N(c2ccc3c(cnn3C3CCC(F)(F)CC3)c2)C1c1ccccc1
InChIInChI=1S/C26H28F2N4O2/c1-16(25(29)34)21-14-23(33)31(24(21)17-5-3-2-4-6-17)20-7-8-22-18(13-20)15-30-32(22)19-9-11-26(27,28)12-10-19/h2-8,13,15-16,19,21,24H,9-12,14H2,1H3,(H2,29,34)
InChIKeyXFOQLGLBKUMHNP-UHFFFAOYSA-N
MW466.53 g/mol
LogP5.00
Rot. Bonds5

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

2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (PubChem CID 155225001) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
PubChem CID155225001
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC Name2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(C(N)=O)C1CC(=O)N(c2ccc3c(cnn3C3CCC(F)(F)CC3)c2)C1c1ccccc1
InChIInChI=1S/C26H28F2N4O2/c1-16(25(29)34)21-14-23(33)31(24(21)17-5-3-2-4-6-17)20-7-8-22-18(13-20)15-30-32(22)19-9-11-26(27,28)12-10-19/h2-8,13,15-16,19,21,24H,9-12,14H2,1H3,(H2,29,34)
InChIKeyXFOQLGLBKUMHNP-UHFFFAOYSA-N
XLogP5.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (CID 155225001) is 2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is CC(C(N)=O)C1CC(=O)N(c2ccc3c(cnn3C3CCC(F)(F)CC3)c2)C1c1ccccc1.
What is the InChIKey of 2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The InChIKey is XFOQLGLBKUMHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c1-16(25(29)34)21-14-23(33)31(24(21)17-5-3-2-4-6-17)20-7-8-22-18(13-20)15-30-32(22)19-9-11-26(27,28)12-10-19/h2-8,13,15-16,19,21,24H,9-12,14H2,1H3,(H2,29,34).
What are the key properties of 2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide has a molecular weight of 466.53 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 155225001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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