(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one

C125H74N14O17 — CID 158304630

IUPAC(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one
SMILESO=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccccn2)Cc2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccccn2)N(C(=O)c2ccccn2)c2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2cccnc2)Cc2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccncc2)Cc2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccncc2)N(C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/2C28H16N4O4.3C23H14N2O3/c33-25-17-9-1-3-13-21(17)31(27(35)19-11-5-7-15-29-19)23(25)24-26(34)18-10-2-4-14-22(18)32(24)28(36)20-12-6-8-16-30-20;33-25-19-5-1-3-7-21(19)31(27(35)17-9-13-29-14-10-17)23(25)24-26(34)20-6-2-4-8-22(20)32(24)28(36)18-11-15-30-16-12-18;26-21-15-8-2-1-7-14(15)13-17(21)20-22(27)16-9-3-4-11-19(16)25(20)23(28)18-10-5-6-12-24-18;26-21-16-8-2-1-6-14(16)12-18(21)20-22(27)17-9-3-4-10-19(17)25(20)23(28)15-7-5-11-24-13-15;26-21-16-6-2-1-5-15(16)13-18(21)20-22(27)17-7-3-4-8-19(17)25(20)23(28)14-9-11-24-12-10-14/h2*1-16H;1-12H,13H2;1-11,13H,12H2;1-12H,13H2/b2*24-23+;20-17-;2*20-18-
InChIKeyGMXSPIXXWUILNC-VNKMAMLDSA-N
MW2044.05 g/mol
LogP19.00
Rot. Bonds7

About (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one

(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one (PubChem CID 158304630) has the molecular formula C125H74N14O17 and a molecular weight of 2044.05 g/mol. Its IUPAC name is (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one.

Molecular Properties

Compound Name(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one
PubChem CID158304630
Molecular FormulaC125H74N14O17
Molecular Weight2044.05 g/mol
Exact Mass2042.54
IUPAC Name(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one
SMILESO=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccccn2)Cc2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccccn2)N(C(=O)c2ccccn2)c2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2cccnc2)Cc2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccncc2)Cc2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccncc2)N(C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/2C28H16N4O4.3C23H14N2O3/c33-25-17-9-1-3-13-21(17)31(27(35)19-11-5-7-15-29-19)23(25)24-26(34)18-10-2-4-14-22(18)32(24)28(36)20-12-6-8-16-30-20;33-25-19-5-1-3-7-21(19)31(27(35)17-9-13-29-14-10-17)23(25)24-26(34)20-6-2-4-8-22(20)32(24)28(36)18-11-15-30-16-12-18;26-21-15-8-2-1-7-14(15)13-17(21)20-22(27)16-9-3-4-11-19(16)25(20)23(28)18-10-5-6-12-24-18;26-21-16-8-2-1-6-14(16)12-18(21)20-22(27)17-9-3-4-10-19(17)25(20)23(28)15-7-5-11-24-13-15;26-21-16-6-2-1-5-15(16)13-18(21)20-22(27)17-7-3-4-8-19(17)25(20)23(28)14-9-11-24-12-10-14/h2*1-16H;1-12H,13H2;1-11,13H,12H2;1-12H,13H2/b2*24-23+;20-17-;2*20-18-
InChIKeyGMXSPIXXWUILNC-VNKMAMLDSA-N
XLogP19.00
TPSA403.10 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002044.05
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one?
The IUPAC name of (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one (CID 158304630) is (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one.
What is the SMILES notation for (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one?
The canonical SMILES for (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one is O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccccn2)Cc2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccccn2)N(C(=O)c2ccccn2)c2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2cccnc2)Cc2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccncc2)Cc2ccccc21.O=C1/C(=C2/C(=O)c3ccccc3N2C(=O)c2ccncc2)N(C(=O)c2ccncc2)c2ccccc21.
What is the InChIKey of (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one?
The InChIKey is GMXSPIXXWUILNC-VNKMAMLDSA-N. The full InChI is InChI=1S/2C28H16N4O4.3C23H14N2O3/c33-25-17-9-1-3-13-21(17)31(27(35)19-11-5-7-15-29-19)23(25)24-26(34)18-10-2-4-14-22(18)32(24)28(36)20-12-6-8-16-30-20;33-25-19-5-1-3-7-21(19)31(27(35)17-9-13-29-14-10-17)23(25)24-26(34)20-6-2-4-8-22(20)32(24)28(36)18-11-15-30-16-12-18;26-21-15-8-2-1-7-14(15)13-17(21)20-22(27)16-9-3-4-11-19(16)25(20)23(28)18-10-5-6-12-24-18;26-21-16-8-2-1-6-14(16)12-18(21)20-22(27)17-9-3-4-10-19(17)25(20)23(28)15-7-5-11-24-13-15;26-21-16-6-2-1-5-15(16)13-18(21)20-22(27)17-7-3-4-8-19(17)25(20)23(28)14-9-11-24-12-10-14/h2*1-16H;1-12H,13H2;1-11,13H,12H2;1-12H,13H2/b2*24-23+;20-17-;2*20-18-.
What are the key properties of (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one?
(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one has a molecular weight of 2044.05 g/mol, XLogP of 19.00, 7 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one is sourced from PubChem (CID 158304630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).