7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide

C24H32N4O4 — CID 143863392

IUPAC7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide
SMILESCc1nn(-c2ccc(C=O)c(NCCCCCCC(=O)NO)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H32N4O4/c1-16-23-20(13-24(2,3)14-21(23)30)28(26-16)18-10-9-17(15-29)19(12-18)25-11-7-5-4-6-8-22(31)27-32/h9-10,12,15,25,32H,4-8,11,13-14H2,1-3H3,(H,27,31)
InChIKeyCXEQBGOAOYWIFQ-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.02
Rot. Bonds10

About 7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide

7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide (PubChem CID 143863392) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide
PubChem CID143863392
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide
SMILESCc1nn(-c2ccc(C=O)c(NCCCCCCC(=O)NO)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H32N4O4/c1-16-23-20(13-24(2,3)14-21(23)30)28(26-16)18-10-9-17(15-29)19(12-18)25-11-7-5-4-6-8-22(31)27-32/h9-10,12,15,25,32H,4-8,11,13-14H2,1-3H3,(H,27,31)
InChIKeyCXEQBGOAOYWIFQ-UHFFFAOYSA-N
XLogP4.02
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide?
The IUPAC name of 7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide (CID 143863392) is 7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide is Cc1nn(-c2ccc(C=O)c(NCCCCCCC(=O)NO)c2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide?
The InChIKey is CXEQBGOAOYWIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-16-23-20(13-24(2,3)14-21(23)30)28(26-16)18-10-9-17(15-29)19(12-18)25-11-7-5-4-6-8-22(31)27-32/h9-10,12,15,25,32H,4-8,11,13-14H2,1-3H3,(H,27,31).
What are the key properties of 7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide?
7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide has a molecular weight of 440.54 g/mol, XLogP of 4.02, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-formyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N-hydroxyheptanamide is sourced from PubChem (CID 143863392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).