3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one

C23H27FN2O2 — CID 71695634

IUPAC3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
SMILESO=C(CC(c1c[nH]c2cccc(F)c12)C1CC1)N1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C23H27FN2O2/c24-19-2-1-3-20-22(19)18(12-25-20)17(14-4-5-14)8-21(27)26-15-6-13-7-16(26)11-23(28,9-13)10-15/h1-3,12-17,25,28H,4-11H2
InChIKeyPAQLMWQLYZTHKA-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.10
Rot. Bonds4

About 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one

3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one (PubChem CID 71695634) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
PubChem CID71695634
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
SMILESO=C(CC(c1c[nH]c2cccc(F)c12)C1CC1)N1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C23H27FN2O2/c24-19-2-1-3-20-22(19)18(12-25-20)17(14-4-5-14)8-21(27)26-15-6-13-7-16(26)11-23(28,9-13)10-15/h1-3,12-17,25,28H,4-11H2
InChIKeyPAQLMWQLYZTHKA-UHFFFAOYSA-N
XLogP4.10
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
The IUPAC name of 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one (CID 71695634) is 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one is O=C(CC(c1c[nH]c2cccc(F)c12)C1CC1)N1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
The InChIKey is PAQLMWQLYZTHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-19-2-1-3-20-22(19)18(12-25-20)17(14-4-5-14)8-21(27)26-15-6-13-7-16(26)11-23(28,9-13)10-15/h1-3,12-17,25,28H,4-11H2.
What are the key properties of 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one has a molecular weight of 382.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one is sourced from PubChem (CID 71695634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).