6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide

C21H19ClN6O2 — CID 89419981

IUPAC6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCc1nc2ccccc2nc1-c1cn2nc(Cl)cc(C(=O)NC3CCOCC3)c2n1
InChIInChI=1S/C21H19ClN6O2/c1-12-19(25-16-5-3-2-4-15(16)23-12)17-11-28-20(26-17)14(10-18(22)27-28)21(29)24-13-6-8-30-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,24,29)
InChIKeyKMCQLKIVNYZRQW-UHFFFAOYSA-N
MW422.88 g/mol
LogP3.21
Rot. Bonds3

About 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide

6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 89419981) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID89419981
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC Name6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCc1nc2ccccc2nc1-c1cn2nc(Cl)cc(C(=O)NC3CCOCC3)c2n1
InChIInChI=1S/C21H19ClN6O2/c1-12-19(25-16-5-3-2-4-15(16)23-12)17-11-28-20(26-17)14(10-18(22)27-28)21(29)24-13-6-8-30-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,24,29)
InChIKeyKMCQLKIVNYZRQW-UHFFFAOYSA-N
XLogP3.21
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide with MolForge

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Related Compounds

6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 168678064
1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide
CID 71934956
6-chloro-2-methyl-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 168678063
3-methyl-N-(oxan-4-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71939341
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155213571
2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 134443270
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-(oxan-4-yl)-2-propan-2-ylbenzamide
CID 177167403
2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide
CID 82725051
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71099793

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 89419981) is 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide is Cc1nc2ccccc2nc1-c1cn2nc(Cl)cc(C(=O)NC3CCOCC3)c2n1.
What is the InChIKey of 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is KMCQLKIVNYZRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c1-12-19(25-16-5-3-2-4-15(16)23-12)17-11-28-20(26-17)14(10-18(22)27-28)21(29)24-13-6-8-30-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,24,29).
What are the key properties of 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide?
6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 422.88 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 89419981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).