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

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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).