tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate

C21H26N4O2 — CID 22024400

IUPACtert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate
SMILESCCc1nc2c(-c3ccc(C)cc3C)ccnn2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C21H26N4O2/c1-7-17-19(24-20(26)27-21(4,5)6)25-18(23-17)16(10-11-22-25)15-9-8-13(2)12-14(15)3/h8-12H,7H2,1-6H3,(H,24,26)
InChIKeyNMWQTOLJOGVIQH-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.92
Rot. Bonds3

About tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate

tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate (PubChem CID 22024400) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate
PubChem CID22024400
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Nametert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate
SMILESCCc1nc2c(-c3ccc(C)cc3C)ccnn2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C21H26N4O2/c1-7-17-19(24-20(26)27-21(4,5)6)25-18(23-17)16(10-11-22-25)15-9-8-13(2)12-14(15)3/h8-12H,7H2,1-6H3,(H,24,26)
InChIKeyNMWQTOLJOGVIQH-UHFFFAOYSA-N
XLogP4.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate (CID 22024400) is tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate is CCc1nc2c(-c3ccc(C)cc3C)ccnn2c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate?
The InChIKey is NMWQTOLJOGVIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-7-17-19(24-20(26)27-21(4,5)6)25-18(23-17)16(10-11-22-25)15-9-8-13(2)12-14(15)3/h8-12H,7H2,1-6H3,(H,24,26).
What are the key properties of tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate?
tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate has a molecular weight of 366.47 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate is sourced from PubChem (CID 22024400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).