N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

C52H57F4IN8O4 — CID 160968555

IUPACN-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3C3CCCCC3)c2)C1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccccc1.Ic1ccc2c(cnn2C2CCCCC2)c1
InChIInChI=1S/C26H28F2N4O2.C13H14F2N2O2.C13H15IN2/c1-26(27,28)25(34)30-21-15-23(33)31(24(21)17-8-4-2-5-9-17)20-12-13-22-18(14-20)16-29-32(22)19-10-6-3-7-11-19;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;14-11-6-7-13-10(8-11)9-15-16(13)12-4-2-1-3-5-12/h2,4-5,8-9,12-14,16,19,21,24H,3,6-7,10-11,15H2,1H3,(H,30,34);2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);6-9,12H,1-5H2/t21-,24?;9-,11?;/m00./s1
InChIKeySXYIJRQVYWQZTQ-KMDAERASSA-N
MW1060.98 g/mol
LogP10.69
Rot. Bonds9

About N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (PubChem CID 160968555) has the molecular formula C52H57F4IN8O4 and a molecular weight of 1060.98 g/mol. Its IUPAC name is N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
PubChem CID160968555
Molecular FormulaC52H57F4IN8O4
Molecular Weight1060.98 g/mol
Exact Mass1060.35
IUPAC NameN-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3C3CCCCC3)c2)C1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccccc1.Ic1ccc2c(cnn2C2CCCCC2)c1
InChIInChI=1S/C26H28F2N4O2.C13H14F2N2O2.C13H15IN2/c1-26(27,28)25(34)30-21-15-23(33)31(24(21)17-8-4-2-5-9-17)20-12-13-22-18(14-20)16-29-32(22)19-10-6-3-7-11-19;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;14-11-6-7-13-10(8-11)9-15-16(13)12-4-2-1-3-5-12/h2,4-5,8-9,12-14,16,19,21,24H,3,6-7,10-11,15H2,1H3,(H,30,34);2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);6-9,12H,1-5H2/t21-,24?;9-,11?;/m00./s1
InChIKeySXYIJRQVYWQZTQ-KMDAERASSA-N
XLogP10.69
TPSA143.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.98
LogP ≤ 510.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide with MolForge

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Related Compounds

(2S)-3-(3,5-difluorophenyl)-2-[[(1S)-1-[(3,5-difluorophenyl)methyl]-2-[methyl-(1-methylindazol-5-yl)amino]-2-oxo-ethyl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindazol-5-yl)propanamide
CID 129908518
US12358907, Example 129
CID 154598005
US12358907, Example 137
CID 154598013
US12358907, Example 148
CID 154598015
US12358907, Example 46
CID 154598021
US12358907, Example 95
CID 154598044
US12358907, Example 77
CID 154598066
US12358907, Example 120
CID 154598171
US12358907, Example 131
CID 154598177
US12358907, Example 132
CID 154598195
US12358907, Example 139b
CID 154598197
US12358907, Example 128
CID 154598213

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (CID 160968555) is N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3C3CCCCC3)c2)C1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccccc1.Ic1ccc2c(cnn2C2CCCCC2)c1.
What is the InChIKey of N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The InChIKey is SXYIJRQVYWQZTQ-KMDAERASSA-N. The full InChI is InChI=1S/C26H28F2N4O2.C13H14F2N2O2.C13H15IN2/c1-26(27,28)25(34)30-21-15-23(33)31(24(21)17-8-4-2-5-9-17)20-12-13-22-18(14-20)16-29-32(22)19-10-6-3-7-11-19;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;14-11-6-7-13-10(8-11)9-15-16(13)12-4-2-1-3-5-12/h2,4-5,8-9,12-14,16,19,21,24H,3,6-7,10-11,15H2,1H3,(H,30,34);2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);6-9,12H,1-5H2/t21-,24?;9-,11?;/m00./s1.
What are the key properties of N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide has a molecular weight of 1060.98 g/mol, XLogP of 10.69, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 160968555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).