benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate

C18H17ClN4O2 — CID 170494259

IUPACbenzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate
SMILESO=C(NCCC=Cc1cnc2ccc(Cl)nn12)OCc1ccccc1
InChIInChI=1S/C18H17ClN4O2/c19-16-9-10-17-21-12-15(23(17)22-16)8-4-5-11-20-18(24)25-13-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2,(H,20,24)
InChIKeyHAQQVWXJJBFFSO-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.71
Rot. Bonds6

About benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate

benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate (PubChem CID 170494259) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate
PubChem CID170494259
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Namebenzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate
SMILESO=C(NCCC=Cc1cnc2ccc(Cl)nn12)OCc1ccccc1
InChIInChI=1S/C18H17ClN4O2/c19-16-9-10-17-21-12-15(23(17)22-16)8-4-5-11-20-18(24)25-13-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2,(H,20,24)
InChIKeyHAQQVWXJJBFFSO-UHFFFAOYSA-N
XLogP3.71
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[4-(2-chloropyrimidin-5-yl)but-3-enyl]carbamate
CID 170493456
benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-ynyl]carbamate
CID 170462760
benzyl N-[4-(3-methylimidazol-4-yl)but-3-enyl]carbamate
CID 170493420
benzyl N-[4-(2,5-dichloro-3-pyridinyl)but-3-enyl]carbamate
CID 170493768
benzyl N-[4-(4-chloro-2-pyridinyl)but-3-enyl]carbamate
CID 170493488
benzyl N-[4-(3,5-dichlorophenyl)but-3-enyl]carbamate
CID 170493593
benzyl N-[4-(3,5-dimethyl-2-pyridinyl)but-3-enyl]carbamate
CID 170493753
benzyl N-[4-(4-chloropyrimidin-5-yl)but-3-enyl]carbamate
CID 170493458
benzyl N-[4-(3-chloro-4-hydroxyphenyl)but-3-enyl]carbamate
CID 170493614
benzyl N-[4-(6-formyl-3-pyridinyl)but-3-enyl]carbamate
CID 170493789
benzyl N-[4-(6-chloro-5-cyano-3-pyridinyl)but-3-enyl]carbamate
CID 170493982
benzyl N-[4-(3-chloro-4-fluorophenyl)but-3-enyl]carbamate
CID 170493596

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate?
The IUPAC name of benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate (CID 170494259) is benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate.
What is the SMILES notation for benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate?
The canonical SMILES for benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate is O=C(NCCC=Cc1cnc2ccc(Cl)nn12)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate?
The InChIKey is HAQQVWXJJBFFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-16-9-10-17-21-12-15(23(17)22-16)8-4-5-11-20-18(24)25-13-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2,(H,20,24).
What are the key properties of benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate?
benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate has a molecular weight of 356.81 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate is sourced from PubChem (CID 170494259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).