N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide

C27H25F2N3O2 — CID 68800113

IUPACN-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C)CC1)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(F)c1
InChIInChI=1S/C27H25F2N3O2/c1-17(31-26(33)27(2)12-13-27)25(18-4-3-5-21(29)14-18)34-23-10-11-24-19(15-23)16-30-32(24)22-8-6-20(28)7-9-22/h3-11,14-17,25H,12-13H2,1-2H3,(H,31,33)/t17-,25?/m0/s1
InChIKeyWCOSFSSYTRGPQR-LFUZPPSTSA-N
MW461.51 g/mol
LogP5.73
Rot. Bonds7

About N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide

N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide (PubChem CID 68800113) has the molecular formula C27H25F2N3O2 and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide
PubChem CID68800113
Molecular FormulaC27H25F2N3O2
Molecular Weight461.51 g/mol
Exact Mass461.19
IUPAC NameN-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C)CC1)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(F)c1
InChIInChI=1S/C27H25F2N3O2/c1-17(31-26(33)27(2)12-13-27)25(18-4-3-5-21(29)14-18)34-23-10-11-24-19(15-23)16-30-32(24)22-8-6-20(28)7-9-22/h3-11,14-17,25H,12-13H2,1-2H3,(H,31,33)/t17-,25?/m0/s1
InChIKeyWCOSFSSYTRGPQR-LFUZPPSTSA-N
XLogP5.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-(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
2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 66812455
N-[(2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide
CID 69004993
2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 25012191
N-[(1R,2S)-1-(3-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-hydroxyacetamide
CID 25013991
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2-methoxyacetamide
CID 91266310
N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-yl]-2-methoxyacetamide
CID 66812647
N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
CID 74388636

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide (CID 68800113) is N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide is C[C@H](NC(=O)C1(C)CC1)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(F)c1.
What is the InChIKey of N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is WCOSFSSYTRGPQR-LFUZPPSTSA-N. The full InChI is InChI=1S/C27H25F2N3O2/c1-17(31-26(33)27(2)12-13-27)25(18-4-3-5-21(29)14-18)34-23-10-11-24-19(15-23)16-30-32(24)22-8-6-20(28)7-9-22/h3-11,14-17,25H,12-13H2,1-2H3,(H,31,33)/t17-,25?/m0/s1.
What are the key properties of N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide?
N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 461.51 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 68800113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).