4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one

C23H19N3O4 — CID 59352148

IUPAC4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
SMILESCN(C)c1ccc(-c2cccc3c2C2(COc4cc5c(cc42)OCO5)C(=O)N3)cn1
InChIInChI=1S/C23H19N3O4/c1-26(2)20-7-6-13(10-24-20)14-4-3-5-16-21(14)23(22(27)25-16)11-28-17-9-19-18(8-15(17)23)29-12-30-19/h3-10H,11-12H2,1-2H3,(H,25,27)
InChIKeyCWWQUNMLTDKAAJ-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.17
Rot. Bonds2

About 4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one

4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one (PubChem CID 59352148) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one.

Molecular Properties

Compound Name4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
PubChem CID59352148
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
SMILESCN(C)c1ccc(-c2cccc3c2C2(COc4cc5c(cc42)OCO5)C(=O)N3)cn1
InChIInChI=1S/C23H19N3O4/c1-26(2)20-7-6-13(10-24-20)14-4-3-5-16-21(14)23(22(27)25-16)11-28-17-9-19-18(8-15(17)23)29-12-30-19/h3-10H,11-12H2,1-2H3,(H,25,27)
InChIKeyCWWQUNMLTDKAAJ-UHFFFAOYSA-N
XLogP3.17
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
The IUPAC name of 4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one (CID 59352148) is 4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one.
What is the SMILES notation for 4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
The canonical SMILES for 4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one is CN(C)c1ccc(-c2cccc3c2C2(COc4cc5c(cc42)OCO5)C(=O)N3)cn1.
What is the InChIKey of 4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
The InChIKey is CWWQUNMLTDKAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-26(2)20-7-6-13(10-24-20)14-4-3-5-16-21(14)23(22(27)25-16)11-28-17-9-19-18(8-15(17)23)29-12-30-19/h3-10H,11-12H2,1-2H3,(H,25,27).
What are the key properties of 4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one has a molecular weight of 401.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)-3-pyridinyl]spiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one is sourced from PubChem (CID 59352148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).