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

C22H19ClN4O3 — CID 90813310

IUPAC(4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate
SMILESCOc1ccc(OC(=O)NC(c2c(C)cccc2Cl)c2cnc3cccnn23)cc1
InChIInChI=1S/C22H19ClN4O3/c1-14-5-3-6-17(23)20(14)21(18-13-24-19-7-4-12-25-27(18)19)26-22(28)30-16-10-8-15(29-2)9-11-16/h3-13,21H,1-2H3,(H,26,28)
InChIKeyTWDACFXUOMQKNH-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.58
Rot. Bonds5

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

(4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate (PubChem CID 90813310) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is (4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate
PubChem CID90813310
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name(4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate
SMILESCOc1ccc(OC(=O)NC(c2c(C)cccc2Cl)c2cnc3cccnn23)cc1
InChIInChI=1S/C22H19ClN4O3/c1-14-5-3-6-17(23)20(14)21(18-13-24-19-7-4-12-25-27(18)19)26-22(28)30-16-10-8-15(29-2)9-11-16/h3-13,21H,1-2H3,(H,26,28)
InChIKeyTWDACFXUOMQKNH-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate (CID 90813310) is (4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate is COc1ccc(OC(=O)NC(c2c(C)cccc2Cl)c2cnc3cccnn23)cc1.
What is the InChIKey of (4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate?
The InChIKey is TWDACFXUOMQKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-14-5-3-6-17(23)20(14)21(18-13-24-19-7-4-12-25-27(18)19)26-22(28)30-16-10-8-15(29-2)9-11-16/h3-13,21H,1-2H3,(H,26,28).
What are the key properties of (4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate?
(4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate has a molecular weight of 422.87 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate is sourced from PubChem (CID 90813310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).