3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

C20H17ClN4O — CID 58857726

IUPAC3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(CNc2ccc3ncc(-c4ccc(Cl)cc4)n3n2)cc1
InChIInChI=1S/C20H17ClN4O/c1-26-17-8-2-14(3-9-17)12-22-19-10-11-20-23-13-18(25(20)24-19)15-4-6-16(21)7-5-15/h2-11,13H,12H2,1H3,(H,22,24)
InChIKeyRVVHLBCZPBEOJR-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.67
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857726) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857726
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(CNc2ccc3ncc(-c4ccc(Cl)cc4)n3n2)cc1
InChIInChI=1S/C20H17ClN4O/c1-26-17-8-2-14(3-9-17)12-22-19-10-11-20-23-13-18(25(20)24-19)15-4-6-16(21)7-5-15/h2-11,13H,12H2,1H3,(H,22,24)
InChIKeyRVVHLBCZPBEOJR-UHFFFAOYSA-N
XLogP4.67
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 58857726) is 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is COc1ccc(CNc2ccc3ncc(-c4ccc(Cl)cc4)n3n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is RVVHLBCZPBEOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-26-17-8-2-14(3-9-17)12-22-19-10-11-20-23-13-18(25(20)24-19)15-4-6-16(21)7-5-15/h2-11,13H,12H2,1H3,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 364.84 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).