6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine

C21H25FN6O — CID 174291202

IUPAC6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine
SMILESCOc1cc2ncc(-c3cc(C)cc(NC4CNCCC4F)n3)n2nc1C1CC1
InChIInChI=1S/C21H25FN6O/c1-12-7-15(25-19(8-12)26-16-10-23-6-5-14(16)22)17-11-24-20-9-18(29-2)21(13-3-4-13)27-28(17)20/h7-9,11,13-14,16,23H,3-6,10H2,1-2H3,(H,25,26)
InChIKeyFATPOJWOXLSGLK-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.10
Rot. Bonds5

About 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine

6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine (PubChem CID 174291202) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine
PubChem CID174291202
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine
SMILESCOc1cc2ncc(-c3cc(C)cc(NC4CNCCC4F)n3)n2nc1C1CC1
InChIInChI=1S/C21H25FN6O/c1-12-7-15(25-19(8-12)26-16-10-23-6-5-14(16)22)17-11-24-20-9-18(29-2)21(13-3-4-13)27-28(17)20/h7-9,11,13-14,16,23H,3-6,10H2,1-2H3,(H,25,26)
InChIKeyFATPOJWOXLSGLK-UHFFFAOYSA-N
XLogP3.10
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine?
The IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine (CID 174291202) is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine.
What is the SMILES notation for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine?
The canonical SMILES for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine is COc1cc2ncc(-c3cc(C)cc(NC4CNCCC4F)n3)n2nc1C1CC1.
What is the InChIKey of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine?
The InChIKey is FATPOJWOXLSGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-12-7-15(25-19(8-12)26-16-10-23-6-5-14(16)22)17-11-24-20-9-18(29-2)21(13-3-4-13)27-28(17)20/h7-9,11,13-14,16,23H,3-6,10H2,1-2H3,(H,25,26).
What are the key properties of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine?
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine has a molecular weight of 396.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine is sourced from PubChem (CID 174291202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).