5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

C29H24N4O6 — CID 71815641

IUPAC5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
SMILESCOc1ccc(-c2c[nH]cc(C(=O)Nc3ccc4c(c3)NC(=O)/C4=C\c3[nH]c(C)c(C(=O)O)c3C)c2=O)cc1
InChIInChI=1S/C29H24N4O6/c1-14-23(31-15(2)25(14)29(37)38)11-20-19-9-6-17(10-24(19)33-27(20)35)32-28(36)22-13-30-12-21(26(22)34)16-4-7-18(39-3)8-5-16/h4-13,31H,1-3H3,(H,30,34)(H,32,36)(H,33,35)(H,37,38)/b20-11-
InChIKeyRICLINCDQFDMRO-JAIQZWGSSA-N
MW524.53 g/mol
LogP4.44
Rot. Bonds6

About 5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (PubChem CID 71815641) has the molecular formula C29H24N4O6 and a molecular weight of 524.53 g/mol. Its IUPAC name is 5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
PubChem CID71815641
Molecular FormulaC29H24N4O6
Molecular Weight524.53 g/mol
Exact Mass524.17
IUPAC Name5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
SMILESCOc1ccc(-c2c[nH]cc(C(=O)Nc3ccc4c(c3)NC(=O)/C4=C\c3[nH]c(C)c(C(=O)O)c3C)c2=O)cc1
InChIInChI=1S/C29H24N4O6/c1-14-23(31-15(2)25(14)29(37)38)11-20-19-9-6-17(10-24(19)33-27(20)35)32-28(36)22-13-30-12-21(26(22)34)16-4-7-18(39-3)8-5-16/h4-13,31H,1-3H3,(H,30,34)(H,32,36)(H,33,35)(H,37,38)/b20-11-
InChIKeyRICLINCDQFDMRO-JAIQZWGSSA-N
XLogP4.44
TPSA153.38 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.53
LogP ≤ 54.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CID 71815641) is 5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is COc1ccc(-c2c[nH]cc(C(=O)Nc3ccc4c(c3)NC(=O)/C4=C\c3[nH]c(C)c(C(=O)O)c3C)c2=O)cc1.
What is the InChIKey of 5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is RICLINCDQFDMRO-JAIQZWGSSA-N. The full InChI is InChI=1S/C29H24N4O6/c1-14-23(31-15(2)25(14)29(37)38)11-20-19-9-6-17(10-24(19)33-27(20)35)32-28(36)22-13-30-12-21(26(22)34)16-4-7-18(39-3)8-5-16/h4-13,31H,1-3H3,(H,30,34)(H,32,36)(H,33,35)(H,37,38)/b20-11-.
What are the key properties of 5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?
5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 524.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[6-[[5-(4-methoxyphenyl)-4-oxo-1H-pyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 71815641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).