N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide

C26H24FN3O2 — CID 25013321

IUPACN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide
SMILESC[C@H](NC(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H24FN3O2/c1-17(29-26(31)19-7-8-19)25(18-5-3-2-4-6-18)32-23-13-14-24-20(15-23)16-28-30(24)22-11-9-21(27)10-12-22/h2-6,9-17,19,25H,7-8H2,1H3,(H,29,31)/t17-,25-/m0/s1
InChIKeyLHGZZJGIBXDYEH-GKVSMKOHSA-N
MW429.50 g/mol
LogP5.20
Rot. Bonds7

About N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide (PubChem CID 25013321) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide
PubChem CID25013321
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide
SMILESC[C@H](NC(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H24FN3O2/c1-17(29-26(31)19-7-8-19)25(18-5-3-2-4-6-18)32-23-13-14-24-20(15-23)16-28-30(24)22-11-9-21(27)10-12-22/h2-6,9-17,19,25H,7-8H2,1H3,(H,29,31)/t17-,25-/m0/s1
InChIKeyLHGZZJGIBXDYEH-GKVSMKOHSA-N
XLogP5.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide (CID 25013321) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide is C[C@H](NC(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide?
The InChIKey is LHGZZJGIBXDYEH-GKVSMKOHSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-17(29-26(31)19-7-8-19)25(18-5-3-2-4-6-18)32-23-13-14-24-20(15-23)16-28-30(24)22-11-9-21(27)10-12-22/h2-6,9-17,19,25H,7-8H2,1H3,(H,29,31)/t17-,25-/m0/s1.
What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide?
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide has a molecular weight of 429.50 g/mol, XLogP of 5.20, 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-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 25013321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).