6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

C26H22ClN7O2 — CID 59624858

IUPAC6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(c2ccc(C)cn2)c2cc(Cl)nn3c(C(=O)Nc4ccncc4)cnc23)cc1
InChIInChI=1S/C26H22ClN7O2/c1-17-3-8-24(29-14-17)33(16-18-4-6-20(36-2)7-5-18)21-13-23(27)32-34-22(15-30-25(21)34)26(35)31-19-9-11-28-12-10-19/h3-15H,16H2,1-2H3,(H,28,31,35)
InChIKeyFENLUQRGQCATDQ-UHFFFAOYSA-N
MW499.96 g/mol
LogP5.08
Rot. Bonds7

About 6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624858) has the molecular formula C26H22ClN7O2 and a molecular weight of 499.96 g/mol. Its IUPAC name is 6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624858
Molecular FormulaC26H22ClN7O2
Molecular Weight499.96 g/mol
Exact Mass499.15
IUPAC Name6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(c2ccc(C)cn2)c2cc(Cl)nn3c(C(=O)Nc4ccncc4)cnc23)cc1
InChIInChI=1S/C26H22ClN7O2/c1-17-3-8-24(29-14-17)33(16-18-4-6-20(36-2)7-5-18)21-13-23(27)32-34-22(15-30-25(21)34)26(35)31-19-9-11-28-12-10-19/h3-15H,16H2,1-2H3,(H,28,31,35)
InChIKeyFENLUQRGQCATDQ-UHFFFAOYSA-N
XLogP5.08
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.96
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118155218
6-chloro-N-[(3R)-1-ethyl-2-oxoazetidin-3-yl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 169148321
N-hydroxy-4-[[(5-methoxy-2-pyridinyl)-(5-methyl-2-pyridinyl)amino]methyl]benzamide
CID 86282319
6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624781
2-chloro-4-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-5-methyl-6,7-dihydropyridazino[1,6-a]azepine-9-carboxylic acid
CID 143846733
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
6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde
CID 118155386
6-[(4-aminocyclohexyl)amino]-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624423
N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide
CID 10003251
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253071

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 59624858) is 6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(CN(c2ccc(C)cn2)c2cc(Cl)nn3c(C(=O)Nc4ccncc4)cnc23)cc1.
What is the InChIKey of 6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is FENLUQRGQCATDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN7O2/c1-17-3-8-24(29-14-17)33(16-18-4-6-20(36-2)7-5-18)21-13-23(27)32-34-22(15-30-25(21)34)26(35)31-19-9-11-28-12-10-19/h3-15H,16H2,1-2H3,(H,28,31,35).
What are the key properties of 6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 499.96 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).