N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide

C21H18N4O2 — CID 155557483

IUPACN-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCOc1cccc(-c2ccc3ncc(-c4ccc(NC(C)=O)cc4)n3n2)c1
InChIInChI=1S/C21H18N4O2/c1-14(26)23-17-8-6-15(7-9-17)20-13-22-21-11-10-19(24-25(20)21)16-4-3-5-18(12-16)27-2/h3-13H,1-2H3,(H,23,26)
InChIKeyNATXQIHIPLSEND-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.03
Rot. Bonds4

About N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide

N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (PubChem CID 155557483) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
PubChem CID155557483
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCOc1cccc(-c2ccc3ncc(-c4ccc(NC(C)=O)cc4)n3n2)c1
InChIInChI=1S/C21H18N4O2/c1-14(26)23-17-8-6-15(7-9-17)20-13-22-21-11-10-19(24-25(20)21)16-4-3-5-18(12-16)27-2/h3-13H,1-2H3,(H,23,26)
InChIKeyNATXQIHIPLSEND-UHFFFAOYSA-N
XLogP4.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (CID 155557483) is N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is COc1cccc(-c2ccc3ncc(-c4ccc(NC(C)=O)cc4)n3n2)c1.
What is the InChIKey of N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The InChIKey is NATXQIHIPLSEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(26)23-17-8-6-15(7-9-17)20-13-22-21-11-10-19(24-25(20)21)16-4-3-5-18(12-16)27-2/h3-13H,1-2H3,(H,23,26).
What are the key properties of N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 155557483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).