(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C25H28N4O4 — CID 95098497

IUPAC(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4ccc(N5CCOCC5)cc4)CC3=O)ccc21
InChIInChI=1S/C25H28N4O4/c1-17(30)28-9-8-18-14-22(6-7-23(18)28)29-16-19(15-24(29)31)25(32)26-20-2-4-21(5-3-20)27-10-12-33-13-11-27/h2-7,14,19H,8-13,15-16H2,1H3,(H,26,32)/t19-/m1/s1
InChIKeyNPLSRIRWHILTLU-LJQANCHMSA-N
MW448.52 g/mol
LogP2.42
Rot. Bonds4

About (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95098497) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95098497
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4ccc(N5CCOCC5)cc4)CC3=O)ccc21
InChIInChI=1S/C25H28N4O4/c1-17(30)28-9-8-18-14-22(6-7-23(18)28)29-16-19(15-24(29)31)25(32)26-20-2-4-21(5-3-20)27-10-12-33-13-11-27/h2-7,14,19H,8-13,15-16H2,1H3,(H,26,32)/t19-/m1/s1
InChIKeyNPLSRIRWHILTLU-LJQANCHMSA-N
XLogP2.42
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 53155711
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098431
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155670
(3S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098694
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155643
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155707
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25332767
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155646
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098377
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098793
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098350
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155837

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 95098497) is (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4ccc(N5CCOCC5)cc4)CC3=O)ccc21.
What is the InChIKey of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NPLSRIRWHILTLU-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17(30)28-9-8-18-14-22(6-7-23(18)28)29-16-19(15-24(29)31)25(32)26-20-2-4-21(5-3-20)27-10-12-33-13-11-27/h2-7,14,19H,8-13,15-16H2,1H3,(H,26,32)/t19-/m1/s1.
What are the key properties of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95098497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).