1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one

C26H20N2O3 — CID 58468033

IUPAC1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCc1ccc(CN2C(=O)C3(COc4ccc(-c5ccncc5)cc43)c3ccccc32)o1
InChIInChI=1S/C26H20N2O3/c1-17-6-8-20(31-17)15-28-23-5-3-2-4-21(23)26(25(28)29)16-30-24-9-7-19(14-22(24)26)18-10-12-27-13-11-18/h2-14H,15-16H2,1H3
InChIKeyMSBIOCZBQCKQEX-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.88
Rot. Bonds3

About 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one

1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 58468033) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID58468033
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC Name1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCc1ccc(CN2C(=O)C3(COc4ccc(-c5ccncc5)cc43)c3ccccc32)o1
InChIInChI=1S/C26H20N2O3/c1-17-6-8-20(31-17)15-28-23-5-3-2-4-21(23)26(25(28)29)16-30-24-9-7-19(14-22(24)26)18-10-12-27-13-11-18/h2-14H,15-16H2,1H3
InChIKeyMSBIOCZBQCKQEX-UHFFFAOYSA-N
XLogP4.88
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[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'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263356
(5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one
CID 143657303
3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
CID 71036067
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 51357549
5,5-dimethyl-1'-(pyridin-3-ylmethyl)spiro[2,6-dihydrofuro[3,2-f][1]benzofuran-3,3'-indole]-2'-one;hydrochloride
CID 66642694
methyl 5-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]furan-2-carboxylate
CID 59352736
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
(8S)-1'-(pyrimidin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352095
6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352139
(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
1'-[[5-(2-chlorophenyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263532
3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[2,3-f][1,2]benzoxazole-7,3'-indole]-2'-one
CID 71036085

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 58468033) is 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one is Cc1ccc(CN2C(=O)C3(COc4ccc(-c5ccncc5)cc43)c3ccccc32)o1.
What is the InChIKey of 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is MSBIOCZBQCKQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c1-17-6-8-20(31-17)15-28-23-5-3-2-4-21(23)26(25(28)29)16-30-24-9-7-19(14-22(24)26)18-10-12-27-13-11-18/h2-14H,15-16H2,1H3.
What are the key properties of 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 408.46 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 58468033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).