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

C27H31N3O6 — CID 663621

IUPAC3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCCCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C27H31N3O6/c1-3-11-29-20-8-5-4-7-19(20)27(26(29)34)22(23(31)21-10-9-18(2)36-21)24(32)25(33)30(27)13-6-12-28-14-16-35-17-15-28/h4-5,7-10,32H,3,6,11-17H2,1-2H3
InChIKeyIIRBMVZBKDFZFS-UHFFFAOYSA-N
MW493.56 g/mol
LogP2.80
Rot. Bonds8

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

3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 663621) has the molecular formula C27H31N3O6 and a molecular weight of 493.56 g/mol. Its IUPAC name is 3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione
PubChem CID663621
Molecular FormulaC27H31N3O6
Molecular Weight493.56 g/mol
Exact Mass493.22
IUPAC Name3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCCCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C27H31N3O6/c1-3-11-29-20-8-5-4-7-19(20)27(26(29)34)22(23(31)21-10-9-18(2)36-21)24(32)25(33)30(27)13-6-12-28-14-16-35-17-15-28/h4-5,7-10,32H,3,6,11-17H2,1-2H3
InChIKeyIIRBMVZBKDFZFS-UHFFFAOYSA-N
XLogP2.80
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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
1-ethyl-4'-hydroxy-3'-[(5-methylfuran-2-yl)carbonyl]-1'-[3-(morpholin-4-yl)propyl]spiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione
CID 663990

Frequently Asked Questions

What is the IUPAC name of 3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of 3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione (CID 663621) is 3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for 3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for 3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione is CCCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21.
What is the InChIKey of 3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione?
The InChIKey is IIRBMVZBKDFZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O6/c1-3-11-29-20-8-5-4-7-19(20)27(26(29)34)22(23(31)21-10-9-18(2)36-21)24(32)25(33)30(27)13-6-12-28-14-16-35-17-15-28/h4-5,7-10,32H,3,6,11-17H2,1-2H3.
What are the key properties of 3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione?
3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 493.56 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 663621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).