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

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

5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (PubChem CID 71815749) has the molecular formula C28H21FN4O5 and a molecular weight of 512.50 g/mol. Its IUPAC name is 5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name	5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
PubChem CID	71815749
Molecular Formula	C28H21FN4O5
Molecular Weight	512.50 g/mol
Exact Mass	512.15
IUPAC Name	5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
SMILES	Cc1[nH]c(/C=C2\C(=O)Nc3cc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)ccc32)c(C)c1C(=O)O
InChI	InChI=1S/C28H21FN4O5/c1-14-22(30-15(2)24(14)28(37)38)13-21-19-10-7-17(12-23(19)32-26(21)35)31-25(34)20-4-3-11-33(27(20)36)18-8-5-16(29)6-9-18/h3-13,30H,1-2H3,(H,31,34)(H,32,35)(H,37,38)/b21-13-
InChIKey	JZHMVDHSVRKVKI-BKUYFWCQSA-N
XLogP	4.36
TPSA	133.29 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.50
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-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-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CID 71815749) is 5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-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-[[1-(4-fluorophenyl)-2-oxopyridine-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-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]c(/C=C2\C(=O)Nc3cc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)ccc32)c(C)c1C(=O)O.

What is the InChIKey of 5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?

The InChIKey is JZHMVDHSVRKVKI-BKUYFWCQSA-N. The full InChI is InChI=1S/C28H21FN4O5/c1-14-22(30-15(2)24(14)28(37)38)13-21-19-10-7-17(12-23(19)32-26(21)35)31-25(34)20-4-3-11-33(27(20)36)18-8-5-16(29)6-9-18/h3-13,30H,1-2H3,(H,31,34)(H,32,35)(H,37,38)/b21-13-.

What are the key properties of 5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?

5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 512.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[6-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 71815749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).