4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide

C26H34N6O2 — CID 66598658

IUPAC4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide
SMILESCC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(C(=O)NC4CC4)cc3)n2n1
InChIInChI=1S/C26H34N6O2/c1-26(2,3)30-23-14-21(27-15-17-10-12-34-13-11-17)24-28-16-22(32(24)31-23)18-4-6-19(7-5-18)25(33)29-20-8-9-20/h4-7,14,16-17,20,27H,8-13,15H2,1-3H3,(H,29,33)(H,30,31)
InChIKeyOODRYGCKJBNEQH-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.34
Rot. Bonds7

About 4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide

4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 66598658) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide
PubChem CID66598658
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide
SMILESCC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(C(=O)NC4CC4)cc3)n2n1
InChIInChI=1S/C26H34N6O2/c1-26(2,3)30-23-14-21(27-15-17-10-12-34-13-11-17)24-28-16-22(32(24)31-23)18-4-6-19(7-5-18)25(33)29-20-8-9-20/h4-7,14,16-17,20,27H,8-13,15H2,1-3H3,(H,29,33)(H,30,31)
InChIKeyOODRYGCKJBNEQH-UHFFFAOYSA-N
XLogP4.34
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide (CID 66598658) is 4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide is CC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(C(=O)NC4CC4)cc3)n2n1.
What is the InChIKey of 4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is OODRYGCKJBNEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-26(2,3)30-23-14-21(27-15-17-10-12-34-13-11-17)24-28-16-22(32(24)31-23)18-4-6-19(7-5-18)25(33)29-20-8-9-20/h4-7,14,16-17,20,27H,8-13,15H2,1-3H3,(H,29,33)(H,30,31).
What are the key properties of 4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide?
4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 462.60 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(tert-butylamino)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 66598658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).