6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide

C20H24ClN5O2 — CID 118155218

IUPAC6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC(C)C)cnc23)cc1
InChIInChI=1S/C20H24ClN5O2/c1-13(2)10-23-20(27)17-11-22-19-16(9-18(21)24-26(17)19)25(3)12-14-5-7-15(28-4)8-6-14/h5-9,11,13H,10,12H2,1-4H3,(H,23,27)
InChIKeyBUWSNONZCPTTAN-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.41
Rot. Bonds7

About 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 118155218) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID118155218
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC(C)C)cnc23)cc1
InChIInChI=1S/C20H24ClN5O2/c1-13(2)10-23-20(27)17-11-22-19-16(9-18(21)24-26(17)19)25(3)12-14-5-7-15(28-4)8-6-14/h5-9,11,13H,10,12H2,1-4H3,(H,23,27)
InChIKeyBUWSNONZCPTTAN-UHFFFAOYSA-N
XLogP3.41
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[(3R)-1-ethyl-2-oxoazetidin-3-yl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 169148321
6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]-N-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624628
6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624858
1-(8-bromo-6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone;4-bromo-6-chloropyridazin-3-amine;1-[6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]ethanone;2-chloro-3-oxobutanal;6-chloropyridazin-3-amine;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;methane;1-(4-methoxyphenyl)-N-methylmethanamine
CID 160883369
1-[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]indole-3-carboxylic acid
CID 134524259
6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde
CID 118155386
ethyl 7-bromo-6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carboxylate
CID 159126135
8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-1-methyl-2-(oxomethylidene)pyrrolidin-3-yl]-6-(2-methylsulfonylanilino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 162732952
4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-ethylpyrazole-3-carboxylic acid;N-cyclopropyl-6-[[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 158002417
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
6-chloro-N-cyclobutyl-3-isocyano-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 59313898

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 118155218) is 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC(C)C)cnc23)cc1.
What is the InChIKey of 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is BUWSNONZCPTTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-13(2)10-23-20(27)17-11-22-19-16(9-18(21)24-26(17)19)25(3)12-14-5-7-15(28-4)8-6-14/h5-9,11,13H,10,12H2,1-4H3,(H,23,27).
What are the key properties of 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 118155218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).