tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate

C21H26N6O3 — CID 86696405

IUPACtert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate
SMILESCN(CCNc1ccc2ncc(-c3ccc(C(N)=O)cc3)n2n1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)26(4)12-11-23-17-9-10-18-24-13-16(27(18)25-17)14-5-7-15(8-6-14)19(22)28/h5-10,13H,11-12H2,1-4H3,(H2,22,28)(H,23,25)
InChIKeyYNQNYIHMAZLJAV-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.77
Rot. Bonds6

About tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate (PubChem CID 86696405) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate
PubChem CID86696405
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Nametert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate
SMILESCN(CCNc1ccc2ncc(-c3ccc(C(N)=O)cc3)n2n1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)26(4)12-11-23-17-9-10-18-24-13-16(27(18)25-17)14-5-7-15(8-6-14)19(22)28/h5-10,13H,11-12H2,1-4H3,(H2,22,28)(H,23,25)
InChIKeyYNQNYIHMAZLJAV-UHFFFAOYSA-N
XLogP2.77
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-582949
CID 10409068
Solcitinib
CID 44603362
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
N-cyclopropyl-4-(8-((tetrahydro-2H-pyran-4-yl)methylamino)-6-(1,1,1-trifluoro-2-methylpropan-2-ylamino)imidazo(1,2-b)pyridazin-3-yl)benzamide
CID 66603863
Imidazopyridazin 1
CID 5459373
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
7-[5-Methyl-2-(1-pyrrolyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455585
7-[5-Methyl-2-(triazol-1-yl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one
CID 455588
7-[2-(5-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455591
7-[2-(4-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455592
7-[2-(2-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455593
3-[(6-Benzoyl-5-Methylpyrrolo[2,1-F][1,2,4]triazin-4-Yl)amino]-N-Cyclopropyl-4-Methylbenzamide
CID 10048045

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate (CID 86696405) is tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate is CN(CCNc1ccc2ncc(-c3ccc(C(N)=O)cc3)n2n1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate?
The InChIKey is YNQNYIHMAZLJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)26(4)12-11-23-17-9-10-18-24-13-16(27(18)25-17)14-5-7-15(8-6-14)19(22)28/h5-10,13H,11-12H2,1-4H3,(H2,22,28)(H,23,25).
What are the key properties of tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate has a molecular weight of 410.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 86696405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).