tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate

C17H23ClN4O3 — CID 86662992

IUPACtert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(Cl)nn2ccnc12
InChIInChI=1S/C17H23ClN4O3/c1-17(2,3)25-16(23)21(11-12-4-8-24-9-5-12)13-10-14(18)20-22-7-6-19-15(13)22/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyLXLIKUITCJZXSC-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.55
Rot. Bonds3

About tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate

tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate (PubChem CID 86662992) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate
PubChem CID86662992
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Nametert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(Cl)nn2ccnc12
InChIInChI=1S/C17H23ClN4O3/c1-17(2,3)25-16(23)21(11-12-4-8-24-9-5-12)13-10-14(18)20-22-7-6-19-15(13)22/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyLXLIKUITCJZXSC-UHFFFAOYSA-N
XLogP3.55
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate (CID 86662992) is tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate is CC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(Cl)nn2ccnc12.
What is the InChIKey of tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate?
The InChIKey is LXLIKUITCJZXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c1-17(2,3)25-16(23)21(11-12-4-8-24-9-5-12)13-10-14(18)20-22-7-6-19-15(13)22/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate?
tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate has a molecular weight of 366.85 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate is sourced from PubChem (CID 86662992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).