4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide

C24H26N6O — CID 59175252

IUPAC4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3nc(NCCc4ccncc4)ccc3n2)cc1
InChIInChI=1S/C24H26N6O/c1-24(2,3)19-6-4-18(5-7-19)23(31)28-21-16-30-22(27-21)9-8-20(29-30)26-15-12-17-10-13-25-14-11-17/h4-11,13-14,16H,12,15H2,1-3H3,(H,26,29)(H,28,31)
InChIKeyUBLPZMCSLQQISJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.33
Rot. Bonds6

About 4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide

4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 59175252) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide
PubChem CID59175252
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3nc(NCCc4ccncc4)ccc3n2)cc1
InChIInChI=1S/C24H26N6O/c1-24(2,3)19-6-4-18(5-7-19)23(31)28-21-16-30-22(27-21)9-8-20(29-30)26-15-12-17-10-13-25-14-11-17/h4-11,13-14,16H,12,15H2,1-3H3,(H,26,29)(H,28,31)
InChIKeyUBLPZMCSLQQISJ-UHFFFAOYSA-N
XLogP4.33
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 59175252) is 4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cn3nc(NCCc4ccncc4)ccc3n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide?
The InChIKey is UBLPZMCSLQQISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-24(2,3)19-6-4-18(5-7-19)23(31)28-21-16-30-22(27-21)9-8-20(29-30)26-15-12-17-10-13-25-14-11-17/h4-11,13-14,16H,12,15H2,1-3H3,(H,26,29)(H,28,31).
What are the key properties of 4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide?
4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-(2-pyridin-4-ylethylamino)imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 59175252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).