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

C26H26F4N4O2 — CID 138684509

IUPACN-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3C3CCC(F)(F)CC3)c2)C1c1ccccc1
InChIInChI=1S/C26H26F4N4O2/c1-25(27,28)24(36)32-20-14-22(35)33(23(20)16-5-3-2-4-6-16)19-7-8-21-17(13-19)15-31-34(21)18-9-11-26(29,30)12-10-18/h2-8,13,15,18,20,23H,9-12,14H2,1H3,(H,32,36)
InChIKeyQTXHHNYTIHYYJW-UHFFFAOYSA-N
MW502.51 g/mol
LogP5.40
Rot. Bonds5

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

N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide (PubChem CID 138684509) has the molecular formula C26H26F4N4O2 and a molecular weight of 502.51 g/mol. Its IUPAC name is N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide
PubChem CID138684509
Molecular FormulaC26H26F4N4O2
Molecular Weight502.51 g/mol
Exact Mass502.20
IUPAC NameN-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3C3CCC(F)(F)CC3)c2)C1c1ccccc1
InChIInChI=1S/C26H26F4N4O2/c1-25(27,28)24(36)32-20-14-22(35)33(23(20)16-5-3-2-4-6-16)19-7-8-21-17(13-19)15-31-34(21)18-9-11-26(29,30)12-10-18/h2-8,13,15,18,20,23H,9-12,14H2,1H3,(H,32,36)
InChIKeyQTXHHNYTIHYYJW-UHFFFAOYSA-N
XLogP5.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 155225001
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
2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 138687342
2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 138684674
N-[(3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 152859429
2,2-difluoro-N-[(2R,3S)-1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(3-fluorophenyl)methyl]-5-iodoindazole;methanamine
CID 164948088
4-bromo-1-methylpyrazole;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(1-methylpyrazol-4-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
CID 160922109
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-[(2S,3S)-2-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684522
2,2-difluoro-N-[(3S,5S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-methyl-2-phenylpyrrolidin-3-yl]propanamide
CID 155433265
2,2-difluoro-N-[2-(4-fluoro-3-methoxyphenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
CID 138687242
N-[(2R,3S)-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684660

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide?
The IUPAC name of N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide (CID 138684509) is N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide?
The canonical SMILES for N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide is CC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3C3CCC(F)(F)CC3)c2)C1c1ccccc1.
What is the InChIKey of N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide?
The InChIKey is QTXHHNYTIHYYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N4O2/c1-25(27,28)24(36)32-20-14-22(35)33(23(20)16-5-3-2-4-6-16)19-7-8-21-17(13-19)15-31-34(21)18-9-11-26(29,30)12-10-18/h2-8,13,15,18,20,23H,9-12,14H2,1H3,(H,32,36).
What are the key properties of N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide?
N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide has a molecular weight of 502.51 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide is sourced from PubChem (CID 138684509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).