(6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide

C24H26N6O4 — CID 138660585

IUPAC(6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1cc/c(=N/N)n(N)c1
InChIInChI=1S/C24H26N6O4/c1-12(2)13-6-8-15-18(10-13)34-24(33)16-4-3-5-17(25)20(16)21(31)23(15,24)28-22(32)14-7-9-19(29-26)30(27)11-14/h4,6-12,33H,3,5,25-27H2,1-2H3,(H,28,32)/b29-19-
InChIKeyNEWJYEFULTUHGF-CEUNXORHSA-N
MW462.51 g/mol
LogP0.32
Rot. Bonds3

About (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide

(6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide (PubChem CID 138660585) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide.

Molecular Properties

Compound Name(6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide
PubChem CID138660585
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name(6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1cc/c(=N/N)n(N)c1
InChIInChI=1S/C24H26N6O4/c1-12(2)13-6-8-15-18(10-13)34-24(33)16-4-3-5-17(25)20(16)21(31)23(15,24)28-22(32)14-7-9-19(29-26)30(27)11-14/h4,6-12,33H,3,5,25-27H2,1-2H3,(H,28,32)/b29-19-
InChIKeyNEWJYEFULTUHGF-CEUNXORHSA-N
XLogP0.32
TPSA170.98 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 50.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide?
The IUPAC name of (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide (CID 138660585) is (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide.
What is the SMILES notation for (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide?
The canonical SMILES for (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide is CC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1cc/c(=N/N)n(N)c1.
What is the InChIKey of (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide?
The InChIKey is NEWJYEFULTUHGF-CEUNXORHSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-12(2)13-6-8-15-18(10-13)34-24(33)16-4-3-5-17(25)20(16)21(31)23(15,24)28-22(32)14-7-9-19(29-26)30(27)11-14/h4,6-12,33H,3,5,25-27H2,1-2H3,(H,28,32)/b29-19-.
What are the key properties of (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide?
(6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 0.32, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide is sourced from PubChem (CID 138660585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).