(4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate

C22H19ClN4O3 — CID 24754065

IUPAC(4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate
SMILESCOc1ccc(OC(=O)NCc2c(-c3ccc(C)cc3)nc3ccc(Cl)nn23)cc1
InChIInChI=1S/C22H19ClN4O3/c1-14-3-5-15(6-4-14)21-18(27-20(25-21)12-11-19(23)26-27)13-24-22(28)30-17-9-7-16(29-2)8-10-17/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyZUCIEVBJMRPQAT-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.66
Rot. Bonds5

About (4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate

(4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate (PubChem CID 24754065) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is (4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate
PubChem CID24754065
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name(4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate
SMILESCOc1ccc(OC(=O)NCc2c(-c3ccc(C)cc3)nc3ccc(Cl)nn23)cc1
InChIInChI=1S/C22H19ClN4O3/c1-14-3-5-15(6-4-14)21-18(27-20(25-21)12-11-19(23)26-27)13-24-22(28)30-17-9-7-16(29-2)8-10-17/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyZUCIEVBJMRPQAT-UHFFFAOYSA-N
XLogP4.66
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate (CID 24754065) is (4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate is COc1ccc(OC(=O)NCc2c(-c3ccc(C)cc3)nc3ccc(Cl)nn23)cc1.
What is the InChIKey of (4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate?
The InChIKey is ZUCIEVBJMRPQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-14-3-5-15(6-4-14)21-18(27-20(25-21)12-11-19(23)26-27)13-24-22(28)30-17-9-7-16(29-2)8-10-17/h3-12H,13H2,1-2H3,(H,24,28).
What are the key properties of (4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate?
(4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate has a molecular weight of 422.87 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate is sourced from PubChem (CID 24754065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).