1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one

C17H15FN2O2 — CID 123555659

IUPAC1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one
SMILESCC(=O)CC1(c2[nH]nc3cccc(-c4ccc(F)o4)c23)CC1
InChIInChI=1S/C17H15FN2O2/c1-10(21)9-17(7-8-17)16-15-11(13-5-6-14(18)22-13)3-2-4-12(15)19-20-16/h2-6H,7-9H2,1H3,(H,19,20)
InChIKeyCDWUTOWMQURFLU-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.97
Rot. Bonds4

About 1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one

1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one (PubChem CID 123555659) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one.

Molecular Properties

Compound Name1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one
PubChem CID123555659
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one
SMILESCC(=O)CC1(c2[nH]nc3cccc(-c4ccc(F)o4)c23)CC1
InChIInChI=1S/C17H15FN2O2/c1-10(21)9-17(7-8-17)16-15-11(13-5-6-14(18)22-13)3-2-4-12(15)19-20-16/h2-6H,7-9H2,1H3,(H,19,20)
InChIKeyCDWUTOWMQURFLU-UHFFFAOYSA-N
XLogP3.97
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one?
The IUPAC name of 1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one (CID 123555659) is 1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one.
What is the SMILES notation for 1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one?
The canonical SMILES for 1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one is CC(=O)CC1(c2[nH]nc3cccc(-c4ccc(F)o4)c23)CC1.
What is the InChIKey of 1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one?
The InChIKey is CDWUTOWMQURFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10(21)9-17(7-8-17)16-15-11(13-5-6-14(18)22-13)3-2-4-12(15)19-20-16/h2-6H,7-9H2,1H3,(H,19,20).
What are the key properties of 1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one?
1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one has a molecular weight of 298.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one is sourced from PubChem (CID 123555659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).