N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide

C24H20ClF2N3O2 — CID 69003430

IUPACN-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)[C@H](c1ccc(F)cc1)c1cc2cnn(-c3ccc(F)cc3)c2cc1Cl
InChIInChI=1S/C24H20ClF2N3O2/c1-14(32)29-22(13-31)24(15-2-4-17(26)5-3-15)20-10-16-12-28-30(23(16)11-21(20)25)19-8-6-18(27)7-9-19/h2-12,22,24,31H,13H2,1H3,(H,29,32)/t22-,24+/m0/s1
InChIKeyFXQRSJGSKUBQOD-LADGPHEKSA-N
MW455.89 g/mol
LogP4.59
Rot. Bonds6

About N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide

N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide (PubChem CID 69003430) has the molecular formula C24H20ClF2N3O2 and a molecular weight of 455.89 g/mol. Its IUPAC name is N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide
PubChem CID69003430
Molecular FormulaC24H20ClF2N3O2
Molecular Weight455.89 g/mol
Exact Mass455.12
IUPAC NameN-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)[C@H](c1ccc(F)cc1)c1cc2cnn(-c3ccc(F)cc3)c2cc1Cl
InChIInChI=1S/C24H20ClF2N3O2/c1-14(32)29-22(13-31)24(15-2-4-17(26)5-3-15)20-10-16-12-28-30(23(16)11-21(20)25)19-8-6-18(27)7-9-19/h2-12,22,24,31H,13H2,1H3,(H,29,32)/t22-,24+/m0/s1
InChIKeyFXQRSJGSKUBQOD-LADGPHEKSA-N
XLogP4.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.89
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide 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

N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide
CID 59339677
2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 69002875
N-[(1S,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide
CID 87165298
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 69054896
methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate
CID 67005486
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 51938661
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
CID 143670879
1-(4-fluorophenyl)-6-propan-2-ylindazol-5-ol
CID 67005535
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
CID 59252835
1-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]-3-(1-hydroxypropan-2-yl)urea
CID 68706316
1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea
CID 68705230
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide?
The IUPAC name of N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide (CID 69003430) is N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide is CC(=O)N[C@@H](CO)[C@H](c1ccc(F)cc1)c1cc2cnn(-c3ccc(F)cc3)c2cc1Cl.
What is the InChIKey of N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide?
The InChIKey is FXQRSJGSKUBQOD-LADGPHEKSA-N. The full InChI is InChI=1S/C24H20ClF2N3O2/c1-14(32)29-22(13-31)24(15-2-4-17(26)5-3-15)20-10-16-12-28-30(23(16)11-21(20)25)19-8-6-18(27)7-9-19/h2-12,22,24,31H,13H2,1H3,(H,29,32)/t22-,24+/m0/s1.
What are the key properties of N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide?
N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide has a molecular weight of 455.89 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 69003430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).