N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide

C27H25ClFN3O2 — CID 59339695

IUPACN-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C)CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClFN3O2/c1-17(31-26(33)27(2)13-14-27)25(18-3-5-20(28)6-4-18)34-23-11-12-24-19(15-23)16-30-32(24)22-9-7-21(29)8-10-22/h3-12,15-17,25H,13-14H2,1-2H3,(H,31,33)/t17-,25-/m0/s1
InChIKeyMOHWRBZCCUKHFC-GKVSMKOHSA-N
MW477.97 g/mol
LogP6.24
Rot. Bonds7

About N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide

N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide (PubChem CID 59339695) has the molecular formula C27H25ClFN3O2 and a molecular weight of 477.97 g/mol. Its IUPAC name is N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide
PubChem CID59339695
Molecular FormulaC27H25ClFN3O2
Molecular Weight477.97 g/mol
Exact Mass477.16
IUPAC NameN-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C)CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClFN3O2/c1-17(31-26(33)27(2)13-14-27)25(18-3-5-20(28)6-4-18)34-23-11-12-24-19(15-23)16-30-32(24)22-9-7-21(29)8-10-22/h3-12,15-17,25H,13-14H2,1-2H3,(H,31,33)/t17-,25-/m0/s1
InChIKeyMOHWRBZCCUKHFC-GKVSMKOHSA-N
XLogP6.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-fluoro-4-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide;methane
CID 158892710
N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
CID 74388636
N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane
CID 159332447
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 91274945
N-[1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-1-methylcyclopropane-1-carboxamide
CID 91336802
N-[(2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide
CID 69004993
N-[(1R,2S)-1-(3-chloro-5-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide;methane
CID 157112280
2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 66812455
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide
CID 91418913
2-fluoro-N-[(1R,2S)-1-(3-fluoro-4-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-methylpropanamide
CID 59339893
N-[(2S)-1-[4-(ethylsulfanylmethyl)phenyl]-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-hydroxyacetamide
CID 69008012

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide (CID 59339695) is N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide is C[C@H](NC(=O)C1(C)CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is MOHWRBZCCUKHFC-GKVSMKOHSA-N. The full InChI is InChI=1S/C27H25ClFN3O2/c1-17(31-26(33)27(2)13-14-27)25(18-3-5-20(28)6-4-18)34-23-11-12-24-19(15-23)16-30-32(24)22-9-7-21(29)8-10-22/h3-12,15-17,25H,13-14H2,1-2H3,(H,31,33)/t17-,25-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide?
N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 477.97 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 59339695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).