N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide

C28H28FN3O2 — CID 90762103

IUPACN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide
SMILESCCC(NC(=O)C1(C)CC1)(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(C)c1
InChIInChI=1S/C28H28FN3O2/c1-4-28(21-7-5-6-19(2)16-21,31-26(33)27(3)14-15-27)34-24-12-13-25-20(17-24)18-30-32(25)23-10-8-22(29)9-11-23/h5-13,16-18H,4,14-15H2,1-3H3,(H,31,33)
InChIKeyFRAQEYBDFYNWQB-UHFFFAOYSA-N
MW457.55 g/mol
LogP6.03
Rot. Bonds7

About N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide

N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 90762103) has the molecular formula C28H28FN3O2 and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide
PubChem CID90762103
Molecular FormulaC28H28FN3O2
Molecular Weight457.55 g/mol
Exact Mass457.22
IUPAC NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide
SMILESCCC(NC(=O)C1(C)CC1)(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(C)c1
InChIInChI=1S/C28H28FN3O2/c1-4-28(21-7-5-6-19(2)16-21,31-26(33)27(3)14-15-27)34-24-12-13-25-20(17-24)18-30-32(25)23-10-8-22(29)9-11-23/h5-13,16-18H,4,14-15H2,1-3H3,(H,31,33)
InChIKeyFRAQEYBDFYNWQB-UHFFFAOYSA-N
XLogP6.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-1-methylcyclopropane-1-carboxamide
CID 91336802
N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide
CID 91052379
N-[(1S)-1-(2,4-dimethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2-fluoro-2-methylpropanamide
CID 68706013
N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide
CID 68800113
N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide
CID 59339695
N-[(1R,2S)-1-(3-fluoro-4-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide;methane
CID 158892710
(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine;2,2,2-trifluoroacetic acid
CID 66812709
(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine
CID 91046815
N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
CID 74388636
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 91274945
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
N-[(1R,2S)-1-(2,4-dimethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide
CID 58201624

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide (CID 90762103) is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide is CCC(NC(=O)C1(C)CC1)(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(C)c1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is FRAQEYBDFYNWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2/c1-4-28(21-7-5-6-19(2)16-21,31-26(33)27(3)14-15-27)34-24-12-13-25-20(17-24)18-30-32(25)23-10-8-22(29)9-11-23/h5-13,16-18H,4,14-15H2,1-3H3,(H,31,33).
What are the key properties of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide?
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 90762103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).