methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate

C18H19BrN4O6 — CID 19434292

IUPACmethyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate
SMILESCOC(=O)Nc1cn2nc(OCc3cc(OC)c(OC)c(OC)c3Br)ccc2n1
InChIInChI=1S/C18H19BrN4O6/c1-25-11-7-10(15(19)17(27-3)16(11)26-2)9-29-14-6-5-13-20-12(8-23(13)22-14)21-18(24)28-4/h5-8H,9H2,1-4H3,(H,21,24)
InChIKeyDNBZTDANOZGOAI-UHFFFAOYSA-N
MW467.28 g/mol
LogP3.27
Rot. Bonds7

About methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate

methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate (PubChem CID 19434292) has the molecular formula C18H19BrN4O6 and a molecular weight of 467.28 g/mol. Its IUPAC name is methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate
PubChem CID19434292
Molecular FormulaC18H19BrN4O6
Molecular Weight467.28 g/mol
Exact Mass466.05
IUPAC Namemethyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate
SMILESCOC(=O)Nc1cn2nc(OCc3cc(OC)c(OC)c(OC)c3Br)ccc2n1
InChIInChI=1S/C18H19BrN4O6/c1-25-11-7-10(15(19)17(27-3)16(11)26-2)9-29-14-6-5-13-20-12(8-23(13)22-14)21-18(24)28-4/h5-8H,9H2,1-4H3,(H,21,24)
InChIKeyDNBZTDANOZGOAI-UHFFFAOYSA-N
XLogP3.27
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate?
The IUPAC name of methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate (CID 19434292) is methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate?
The canonical SMILES for methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate is COC(=O)Nc1cn2nc(OCc3cc(OC)c(OC)c(OC)c3Br)ccc2n1.
What is the InChIKey of methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate?
The InChIKey is DNBZTDANOZGOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O6/c1-25-11-7-10(15(19)17(27-3)16(11)26-2)9-29-14-6-5-13-20-12(8-23(13)22-14)21-18(24)28-4/h5-8H,9H2,1-4H3,(H,21,24).
What are the key properties of methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate?
methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate has a molecular weight of 467.28 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[(2-bromo-3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate is sourced from PubChem (CID 19434292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).