3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione

C25H27N3O6 — CID 664460

IUPAC3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C23C(=O)N(C)c2ccccc23)o1
InChIInChI=1S/C25H27N3O6/c1-16-8-9-19(34-16)21(29)20-22(30)23(31)28(11-5-10-27-12-14-33-15-13-27)25(20)17-6-3-4-7-18(17)26(2)24(25)32/h3-4,6-9,30H,5,10-15H2,1-2H3
InChIKeyFKCWFVMXFQMODM-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.02
Rot. Bonds6

About 3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione

3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 664460) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
PubChem CID664460
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Name3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C23C(=O)N(C)c2ccccc23)o1
InChIInChI=1S/C25H27N3O6/c1-16-8-9-19(34-16)21(29)20-22(30)23(31)28(11-5-10-27-12-14-33-15-13-27)25(20)17-6-3-4-7-18(17)26(2)24(25)32/h3-4,6-9,30H,5,10-15H2,1-2H3
InChIKeyFKCWFVMXFQMODM-UHFFFAOYSA-N
XLogP2.02
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-1-(5-methyl-2-furoyl)indoline
CID 2971468
2,3-Dihydroindol-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 7958162
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9328527
(3-Methyl-1-benzofuran-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 16293355
4-[3-[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester
CID 660075
Ethyl 4-{3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
CID 661755
1-(5-Methyl-2-furoyl)indoline
CID 897776
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 3798162
7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 5307358
4-[4-(Furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
CID 166629549
1-(2,3-Dimethylphenyl)-4-(5-methyl-2-furoyl)piperazine
CID 844431
4'-hydroxy-3'-[(5-methylfuran-2-yl)carbonyl]-1'-[3-(morpholin-4-yl)propyl]-1-propylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione
CID 663621

Frequently Asked Questions

What is the IUPAC name of 3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of 3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione (CID 664460) is 3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for 3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for 3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione is Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C23C(=O)N(C)c2ccccc23)o1.
What is the InChIKey of 3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
The InChIKey is FKCWFVMXFQMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-16-8-9-19(34-16)21(29)20-22(30)23(31)28(11-5-10-27-12-14-33-15-13-27)25(20)17-6-3-4-7-18(17)26(2)24(25)32/h3-4,6-9,30H,5,10-15H2,1-2H3.
What are the key properties of 3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 465.51 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 664460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).