N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide

C27H23N3O3 — CID 141211756

IUPACN-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)[C@H](Oc1ccc2c(cnn2-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C27H23N3O3/c1-19(29-27(31)25-13-8-16-32-25)26(20-9-4-2-5-10-20)33-23-14-15-24-21(17-23)18-28-30(24)22-11-6-3-7-12-22/h2-19,26H,1H3,(H,29,31)/t19-,26-/m0/s1
InChIKeyJRZIDYNLDPMJCO-SIBVEZHUSA-N
MW437.50 g/mol
LogP5.56
Rot. Bonds7

About N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide

N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide (PubChem CID 141211756) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide
PubChem CID141211756
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC NameN-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)[C@H](Oc1ccc2c(cnn2-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C27H23N3O3/c1-19(29-27(31)25-13-8-16-32-25)26(20-9-4-2-5-10-20)33-23-14-15-24-21(17-23)18-28-30(24)22-11-6-3-7-12-22/h2-19,26H,1H3,(H,29,31)/t19-,26-/m0/s1
InChIKeyJRZIDYNLDPMJCO-SIBVEZHUSA-N
XLogP5.56
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide
CID 25013162
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 91274945
N-[(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 71095199
2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 66812455
N-[(1R,2S)-1-[1-[4-[(dimethylamino)methyl]phenyl]indazol-5-yl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 59339629
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2-methoxyacetamide
CID 91266310
3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-phenylpropoxy]indazol-1-yl]benzamide
CID 57432099
4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide
CID 66812599
N-(2-amino-2-oxoethyl)-3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-phenylpropoxy]indazol-1-yl]benzamide
CID 44544500
(1R,2S)-N-(butan-2-yl-hydroxy-methyl-oxo-λ6-sulfanyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-amine
CID 143677655
3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-phenylpropoxy]indazol-1-yl]-N-(2-hydroxyethyl)benzamide
CID 44544409
N-[(1R,2S)-1-(3-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-hydroxyacetamide
CID 25013991

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide (CID 141211756) is N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)[C@H](Oc1ccc2c(cnn2-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide?
The InChIKey is JRZIDYNLDPMJCO-SIBVEZHUSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-19(29-27(31)25-13-8-16-32-25)26(20-9-4-2-5-10-20)33-23-14-15-24-21(17-23)18-28-30(24)22-11-6-3-7-12-22/h2-19,26H,1H3,(H,29,31)/t19-,26-/m0/s1.
What are the key properties of N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide?
N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-phenyl-1-(1-phenylindazol-5-yl)oxypropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 141211756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).