formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C28H30N2O4 — CID 143977171

IUPACformaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESC/C=C\c1cc2c(cc1C)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21.C=O.COC
InChIInChI=1S/C25H22N2O2.C2H6O.CH2O/c1-3-8-18-14-23-21(13-17(18)2)25(16-29-23)20-10-4-5-11-22(20)27(24(25)28)15-19-9-6-7-12-26-19;1-3-2;1-2/h3-14H,15-16H2,1-2H3;1-2H3;1H2/b8-3-;;
InChIKeyKEAHRTZWHXFPGI-AFLHAROQSA-N
MW458.56 g/mol
LogP4.73
Rot. Bonds3

About formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 143977171) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Nameformaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID143977171
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Nameformaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESC/C=C\c1cc2c(cc1C)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21.C=O.COC
InChIInChI=1S/C25H22N2O2.C2H6O.CH2O/c1-3-8-18-14-23-21(13-17(18)2)25(16-29-23)20-10-4-5-11-22(20)27(24(25)28)15-19-9-6-7-12-26-19;1-3-2;1-2/h3-14H,15-16H2,1-2H3;1-2H3;1H2/b8-3-;;
InChIKeyKEAHRTZWHXFPGI-AFLHAROQSA-N
XLogP4.73
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(pyridin-2-ylmethyl)spiro[2H-thieno[2,3-f][1]benzofuran-3,3'-indole]-2'-one
CID 91415836
1'-(pyridin-2-ylmethyl)-6-(trifluoromethoxy)spiro[2H-1-benzofuran-3,3'-indole]-2'-one;hydrochloride
CID 66642616
(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 58224165
(8S)-1'-(pyrimidin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352095
2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile
CID 67356708
5'-isocyano-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352427
1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352151
1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352709
1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 71036140
1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329
6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
CID 59352188
1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine
CID 143977173

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 143977171) is formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is C/C=C\c1cc2c(cc1C)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21.C=O.COC.
What is the InChIKey of formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is KEAHRTZWHXFPGI-AFLHAROQSA-N. The full InChI is InChI=1S/C25H22N2O2.C2H6O.CH2O/c1-3-8-18-14-23-21(13-17(18)2)25(16-29-23)20-10-4-5-11-22(20)27(24(25)28)15-19-9-6-7-12-26-19;1-3-2;1-2/h3-14H,15-16H2,1-2H3;1-2H3;1H2/b8-3-;;.
What are the key properties of formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 458.56 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methoxymethane;5-methyl-6-[(Z)-prop-1-enyl]-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 143977171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).