N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane

C27H36N4O5 — CID 143339739

IUPACN-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane
SMILESCCC.Cc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCC(O)C(=O)N3CCOCC3)c1C)C(=O)N2
InChIInChI=1S/C24H28N4O5.C3H8/c1-13-4-5-18-16(10-13)17(22(30)27-18)11-19-14(2)21(15(3)26-19)23(31)25-12-20(29)24(32)28-6-8-33-9-7-28;1-3-2/h4-5,10-11,20,26,29H,6-9,12H2,1-3H3,(H,25,31)(H,27,30);3H2,1-2H3/b17-11-;
InChIKeyOWIHRMBMYUHMCY-CULRIWENSA-N
MW496.61 g/mol
LogP2.80
Rot. Bonds5

About N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane

N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane (PubChem CID 143339739) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane
PubChem CID143339739
Molecular FormulaC27H36N4O5
Molecular Weight496.61 g/mol
Exact Mass496.27
IUPAC NameN-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane
SMILESCCC.Cc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCC(O)C(=O)N3CCOCC3)c1C)C(=O)N2
InChIInChI=1S/C24H28N4O5.C3H8/c1-13-4-5-18-16(10-13)17(22(30)27-18)11-19-14(2)21(15(3)26-19)23(31)25-12-20(29)24(32)28-6-8-33-9-7-28;1-3-2/h4-5,10-11,20,26,29H,6-9,12H2,1-3H3,(H,25,31)(H,27,30);3H2,1-2H3/b17-11-;
InChIKeyOWIHRMBMYUHMCY-CULRIWENSA-N
XLogP2.80
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane with MolForge

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Related Compounds

5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 73171800
N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 142164122
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 10225366
(2S)-4-[[2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 143339704
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91473708
N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 90851612
methyl (2S)-3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-2-hydroxypropanoate
CID 58773270
3-[[3,5-dimethyl-4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-carboxamide
CID 123771401
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 72967852
N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 159860047
4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 142164138
(3Z)-3-[[3,5-dimethyl-4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 89027682

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane (CID 143339739) is N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane is CCC.Cc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCC(O)C(=O)N3CCOCC3)c1C)C(=O)N2.
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane?
The InChIKey is OWIHRMBMYUHMCY-CULRIWENSA-N. The full InChI is InChI=1S/C24H28N4O5.C3H8/c1-13-4-5-18-16(10-13)17(22(30)27-18)11-19-14(2)21(15(3)26-19)23(31)25-12-20(29)24(32)28-6-8-33-9-7-28;1-3-2/h4-5,10-11,20,26,29H,6-9,12H2,1-3H3,(H,25,31)(H,27,30);3H2,1-2H3/b17-11-;.
What are the key properties of N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane?
N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane has a molecular weight of 496.61 g/mol, XLogP of 2.80, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane is sourced from PubChem (CID 143339739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).