N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide

C32H30FN3O — CID 59251049

IUPACN-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide
SMILESCC(C)(CNC(=O)Cc1ccccc1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C32H30FN3O/c1-32(2,22-34-30(37)19-23-9-5-3-6-10-23)31(24-11-7-4-8-12-24)25-13-18-29-26(20-25)21-35-36(29)28-16-14-27(33)15-17-28/h3-18,20-21,31H,19,22H2,1-2H3,(H,34,37)/t31-/m0/s1
InChIKeyIKUATMHYCWRCHC-HKBQPEDESA-N
MW491.61 g/mol
LogP6.68
Rot. Bonds8

About N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide

N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide (PubChem CID 59251049) has the molecular formula C32H30FN3O and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide
PubChem CID59251049
Molecular FormulaC32H30FN3O
Molecular Weight491.61 g/mol
Exact Mass491.24
IUPAC NameN-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide
SMILESCC(C)(CNC(=O)Cc1ccccc1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C32H30FN3O/c1-32(2,22-34-30(37)19-23-9-5-3-6-10-23)31(24-11-7-4-8-12-24)25-13-18-29-26(20-25)21-35-36(29)28-16-14-27(33)15-17-28/h3-18,20-21,31H,19,22H2,1-2H3,(H,34,37)/t31-/m0/s1
InChIKeyIKUATMHYCWRCHC-HKBQPEDESA-N
XLogP6.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
N-Ethyl-2,6-dimethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45271025
3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251119
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[1-(4-pyridazin-4-ylbutylamino)propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
CID 44451355
4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 11698163
1-{4-[1-(3-aminomethylphenyl)-7-fluoro-3-methyl-1H-indazol-6-yl]phenyl}piperidin-2-one
CID 11704628
1-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3-(2,2,2-trifluoroethyl)urea
CID 24936312
1-tert-butyl-3-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]urea
CID 24936313
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
CID 24936446
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide
CID 24936598

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide?
The IUPAC name of N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide (CID 59251049) is N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide.
What is the SMILES notation for N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide?
The canonical SMILES for N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide is CC(C)(CNC(=O)Cc1ccccc1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide?
The InChIKey is IKUATMHYCWRCHC-HKBQPEDESA-N. The full InChI is InChI=1S/C32H30FN3O/c1-32(2,22-34-30(37)19-23-9-5-3-6-10-23)31(24-11-7-4-8-12-24)25-13-18-29-26(20-25)21-35-36(29)28-16-14-27(33)15-17-28/h3-18,20-21,31H,19,22H2,1-2H3,(H,34,37)/t31-/m0/s1.
What are the key properties of N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide?
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide has a molecular weight of 491.61 g/mol, XLogP of 6.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide is sourced from PubChem (CID 59251049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).