6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide

C22H20FN3O3 — CID 158861596

IUPAC6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide
SMILESCn1ccc2cc(CNC(=O)N3CC4(CC(=O)c5cc(F)ccc5O4)C3)ccc21
InChIInChI=1S/C22H20FN3O3/c1-25-7-6-15-8-14(2-4-18(15)25)11-24-21(28)26-12-22(13-26)10-19(27)17-9-16(23)3-5-20(17)29-22/h2-9H,10-13H2,1H3,(H,24,28)
InChIKeyJASMMGYDJWHUQX-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.25
Rot. Bonds2

About 6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide

6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide (PubChem CID 158861596) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide
PubChem CID158861596
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide
SMILESCn1ccc2cc(CNC(=O)N3CC4(CC(=O)c5cc(F)ccc5O4)C3)ccc21
InChIInChI=1S/C22H20FN3O3/c1-25-7-6-15-8-14(2-4-18(15)25)11-24-21(28)26-12-22(13-26)10-19(27)17-9-16(23)3-5-20(17)29-22/h2-9H,10-13H2,1H3,(H,24,28)
InChIKeyJASMMGYDJWHUQX-UHFFFAOYSA-N
XLogP3.25
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide?
The IUPAC name of 6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide (CID 158861596) is 6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide?
The canonical SMILES for 6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide is Cn1ccc2cc(CNC(=O)N3CC4(CC(=O)c5cc(F)ccc5O4)C3)ccc21.
What is the InChIKey of 6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide?
The InChIKey is JASMMGYDJWHUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-25-7-6-15-8-14(2-4-18(15)25)11-24-21(28)26-12-22(13-26)10-19(27)17-9-16(23)3-5-20(17)29-22/h2-9H,10-13H2,1H3,(H,24,28).
What are the key properties of 6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide?
6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide is sourced from PubChem (CID 158861596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).