N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide

C25H23F3N6O3 — CID 88541540

IUPACN'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide
SMILESCc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1NC(=O)CCCCC(=O)NO
InChIInChI=1S/C25H23F3N6O3/c1-15-8-9-16(13-19(15)31-22(35)6-2-3-7-23(36)33-37)20-14-34-21(30-20)11-10-18(32-34)17-5-4-12-29-24(17)25(26,27)28/h4-5,8-14,37H,2-3,6-7H2,1H3,(H,31,35)(H,33,36)
InChIKeyQHAZEOGNOLYARV-UHFFFAOYSA-N
MW512.49 g/mol
LogP4.79
Rot. Bonds8

About N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide

N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide (PubChem CID 88541540) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide
PubChem CID88541540
Molecular FormulaC25H23F3N6O3
Molecular Weight512.49 g/mol
Exact Mass512.18
IUPAC NameN'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide
SMILESCc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1NC(=O)CCCCC(=O)NO
InChIInChI=1S/C25H23F3N6O3/c1-15-8-9-16(13-19(15)31-22(35)6-2-3-7-23(36)33-37)20-14-34-21(30-20)11-10-18(32-34)17-5-4-12-29-24(17)25(26,27)28/h4-5,8-14,37H,2-3,6-7H2,1H3,(H,31,35)(H,33,36)
InChIKeyQHAZEOGNOLYARV-UHFFFAOYSA-N
XLogP4.79
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide?
The IUPAC name of N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide (CID 88541540) is N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide.
What is the SMILES notation for N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide?
The canonical SMILES for N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide is Cc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1NC(=O)CCCCC(=O)NO.
What is the InChIKey of N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide?
The InChIKey is QHAZEOGNOLYARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c1-15-8-9-16(13-19(15)31-22(35)6-2-3-7-23(36)33-37)20-14-34-21(30-20)11-10-18(32-34)17-5-4-12-29-24(17)25(26,27)28/h4-5,8-14,37H,2-3,6-7H2,1H3,(H,31,35)(H,33,36).
What are the key properties of N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide?
N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide has a molecular weight of 512.49 g/mol, XLogP of 4.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide is sourced from PubChem (CID 88541540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).