5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide

C23H28N4O5 — CID 23653758

IUPAC5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)NOCCN2CCOCC2)c1C
InChIInChI=1S/C23H28N4O5/c1-14-19(13-18-17-5-4-16(30-3)12-20(17)25-22(18)28)24-15(2)21(14)23(29)26-32-11-8-27-6-9-31-10-7-27/h4-5,12-13,24H,6-11H2,1-3H3,(H,25,28)(H,26,29)/b18-13-
InChIKeyYVCGOBVDSRLYEZ-AQTBWJFISA-N
MW440.50 g/mol
LogP2.13
Rot. Bonds7

About 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide

5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide (PubChem CID 23653758) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide
PubChem CID23653758
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)NOCCN2CCOCC2)c1C
InChIInChI=1S/C23H28N4O5/c1-14-19(13-18-17-5-4-16(30-3)12-20(17)25-22(18)28)24-15(2)21(14)23(29)26-32-11-8-27-6-9-31-10-7-27/h4-5,12-13,24H,6-11H2,1-3H3,(H,25,28)(H,26,29)/b18-13-
InChIKeyYVCGOBVDSRLYEZ-AQTBWJFISA-N
XLogP2.13
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide
CID 66675066
N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 23653671
5-[(Z)-[6-[(2-fluoro-4-methoxybenzoyl)carbamoylamino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 71816087
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
3-[[3,5-dimethyl-4-(2-pyrrolidin-1-ylethylcarbamoyl)-1H-pyrrol-2-yl]methylidene]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-1H-indole-5-carboxamide
CID 123861147
2-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 66606630
N-[[3-[[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]carbamoyl]-2-fluoro-4-methoxybenzamide
CID 140665510
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
ethane;ethyl 2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
CID 178003007
3-[[3,5-dimethyl-4-(3-morpholin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 54360731
3-[[3,5-dimethyl-4-(2-pyrrolidin-1-ylethylcarbamoyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-carboxylic acid
CID 123450026
3-[[3,5-dimethyl-4-(2-morpholin-4-ylethylamino)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 123669494

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide (CID 23653758) is 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide is COc1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)NOCCN2CCOCC2)c1C.
What is the InChIKey of 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide?
The InChIKey is YVCGOBVDSRLYEZ-AQTBWJFISA-N. The full InChI is InChI=1S/C23H28N4O5/c1-14-19(13-18-17-5-4-16(30-3)12-20(17)25-22(18)28)24-15(2)21(14)23(29)26-32-11-8-27-6-9-31-10-7-27/h4-5,12-13,24H,6-11H2,1-3H3,(H,25,28)(H,26,29)/b18-13-.
What are the key properties of 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide?
5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 23653758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).