N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide

C17H15ClN4O — CID 10830029

IUPACN-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1c(/C=C/c2ccccc2)nc2ccc(Cl)nn12
InChIInChI=1S/C17H15ClN4O/c1-12(23)19-11-15-14(8-7-13-5-3-2-4-6-13)20-17-10-9-16(18)21-22(15)17/h2-10H,11H2,1H3,(H,19,23)/b8-7+
InChIKeyNRHOZBAOKOJYJW-BQYQJAHWSA-N
MW326.79 g/mol
LogP3.19
Rot. Bonds4

About N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide

N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide (PubChem CID 10830029) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide
PubChem CID10830029
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1c(/C=C/c2ccccc2)nc2ccc(Cl)nn12
InChIInChI=1S/C17H15ClN4O/c1-12(23)19-11-15-14(8-7-13-5-3-2-4-6-13)20-17-10-9-16(18)21-22(15)17/h2-10H,11H2,1H3,(H,19,23)/b8-7+
InChIKeyNRHOZBAOKOJYJW-BQYQJAHWSA-N
XLogP3.19
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide?
The IUPAC name of N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide (CID 10830029) is N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide is CC(=O)NCc1c(/C=C/c2ccccc2)nc2ccc(Cl)nn12.
What is the InChIKey of N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide?
The InChIKey is NRHOZBAOKOJYJW-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12(23)19-11-15-14(8-7-13-5-3-2-4-6-13)20-17-10-9-16(18)21-22(15)17/h2-10H,11H2,1H3,(H,19,23)/b8-7+.
What are the key properties of N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide?
N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide has a molecular weight of 326.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide is sourced from PubChem (CID 10830029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).