2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid

C27H25N3O5 — CID 24942668

IUPAC2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid
SMILESCc1c(C(=O)N2CCOCC2)c[nH]c1C=C1C(=O)Nc2cccc(-c3cccc(CC(=O)O)c3)c21
InChIInChI=1S/C27H25N3O5/c1-16-21(27(34)30-8-10-35-11-9-30)15-28-23(16)14-20-25-19(6-3-7-22(25)29-26(20)33)18-5-2-4-17(12-18)13-24(31)32/h2-7,12,14-15,28H,8-11,13H2,1H3,(H,29,33)(H,31,32)
InChIKeyPAECMNFMRDSPDR-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.58
Rot. Bonds5

About 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid

2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid (PubChem CID 24942668) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid
PubChem CID24942668
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid
SMILESCc1c(C(=O)N2CCOCC2)c[nH]c1C=C1C(=O)Nc2cccc(-c3cccc(CC(=O)O)c3)c21
InChIInChI=1S/C27H25N3O5/c1-16-21(27(34)30-8-10-35-11-9-30)15-28-23(16)14-20-25-19(6-3-7-22(25)29-26(20)33)18-5-2-4-17(12-18)13-24(31)32/h2-7,12,14-15,28H,8-11,13H2,1H3,(H,29,33)(H,31,32)
InChIKeyPAECMNFMRDSPDR-UHFFFAOYSA-N
XLogP3.58
TPSA111.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid 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-[3-[(3Z)-3-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid
CID 142153330
3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 72637563
3-[[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-[3-(2-hydroxyethyl)phenyl]-1H-indol-2-one
CID 91198061
(3Z)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-pyridin-4-yl-1H-indol-2-one
CID 10136401
(3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 25218046
N,N-dimethyl-2-[3-[(3Z)-3-[[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-4-yl]phenyl]acetamide
CID 59059459
4-(3-chlorophenyl)-3-[[5-methyl-3-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 72637552
3-[[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrrol-2-yl]methylidene]-4-(2-fluorophenyl)-1H-indol-2-one
CID 72637782
3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-(3-fluorophenyl)-1H-indol-2-one
CID 24942647
(3Z)-4-[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-3-[[5-methyl-3-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 59989639
5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide
CID 142153272
5-(morpholine-4-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 134211396

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid (CID 24942668) is 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid is Cc1c(C(=O)N2CCOCC2)c[nH]c1C=C1C(=O)Nc2cccc(-c3cccc(CC(=O)O)c3)c21.
What is the InChIKey of 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid?
The InChIKey is PAECMNFMRDSPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-16-21(27(34)30-8-10-35-11-9-30)15-28-23(16)14-20-25-19(6-3-7-22(25)29-26(20)33)18-5-2-4-17(12-18)13-24(31)32/h2-7,12,14-15,28H,8-11,13H2,1H3,(H,29,33)(H,31,32).
What are the key properties of 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid?
2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid has a molecular weight of 471.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid is sourced from PubChem (CID 24942668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).