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

C26H28F2N4O2 — CID 155225001

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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Related Compounds

N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684509
N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
CID 165097584
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
ethane;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 154641896
(4S,5R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-(methylamino)-5-phenylpyrrolidin-2-one
CID 170105272
1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 138687282
N-[(4S)-4-(2,2-difluoroethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 167017749
(4S)-4-amino-5-phenylpyrrolidin-2-one;1-fluorocyclopropane-1-carboxylic acid;1-fluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide;1-fluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide;1-fluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide;1-(4-fluorophenyl)-5-iodoindazole
CID 165093551
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 138684895
2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 175047378
1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 175360473
(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598046

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).