6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C21H18N6O2 — CID 122478391

IUPAC6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NC4COC4)n3n2)n1
InChIInChI=1S/C21H18N6O2/c1-13-4-2-6-17(24-13)20-15(5-3-9-22-20)16-7-8-19-23-10-18(27(19)26-16)21(28)25-14-11-29-12-14/h2-10,14H,11-12H2,1H3,(H,25,28)
InChIKeyLUAIKQPLGKFHNX-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.29
Rot. Bonds4

About 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122478391) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122478391
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NC4COC4)n3n2)n1
InChIInChI=1S/C21H18N6O2/c1-13-4-2-6-17(24-13)20-15(5-3-9-22-20)16-7-8-19-23-10-18(27(19)26-16)21(28)25-14-11-29-12-14/h2-10,14H,11-12H2,1H3,(H,25,28)
InChIKeyLUAIKQPLGKFHNX-UHFFFAOYSA-N
XLogP2.29
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 122478391) is 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NC4COC4)n3n2)n1.
What is the InChIKey of 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is LUAIKQPLGKFHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-13-4-2-6-17(24-13)20-15(5-3-9-22-20)16-7-8-19-23-10-18(27(19)26-16)21(28)25-14-11-29-12-14/h2-10,14H,11-12H2,1H3,(H,25,28).
What are the key properties of 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-N-(oxetan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122478391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).