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

C21H25FN6O2 — CID 170631276

IUPAC6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine
SMILESCOc1ccc(-c2cnc3cc(OC)c(C4CC4)nn23)nc1NC1CNCCC1F
InChIInChI=1S/C21H25FN6O2/c1-29-17-6-5-14(25-21(17)26-15-10-23-8-7-13(15)22)16-11-24-19-9-18(30-2)20(12-3-4-12)27-28(16)19/h5-6,9,11-13,15,23H,3-4,7-8,10H2,1-2H3,(H,25,26)
InChIKeyBKVCUWDELGBTAN-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.80
Rot. Bonds6

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

6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine (PubChem CID 170631276) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine.

Molecular Properties

Compound Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine
PubChem CID170631276
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine
SMILESCOc1ccc(-c2cnc3cc(OC)c(C4CC4)nn23)nc1NC1CNCCC1F
InChIInChI=1S/C21H25FN6O2/c1-29-17-6-5-14(25-21(17)26-15-10-23-8-7-13(15)22)16-11-24-19-9-18(30-2)20(12-3-4-12)27-28(16)19/h5-6,9,11-13,15,23H,3-4,7-8,10H2,1-2H3,(H,25,26)
InChIKeyBKVCUWDELGBTAN-UHFFFAOYSA-N
XLogP2.80
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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)-3-methoxypyridin-2-amine?
The IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine (CID 170631276) is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine.
What is the SMILES notation for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine?
The canonical SMILES for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine is COc1ccc(-c2cnc3cc(OC)c(C4CC4)nn23)nc1NC1CNCCC1F.
What is the InChIKey of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine?
The InChIKey is BKVCUWDELGBTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-29-17-6-5-14(25-21(17)26-15-10-23-8-7-13(15)22)16-11-24-19-9-18(30-2)20(12-3-4-12)27-28(16)19/h5-6,9,11-13,15,23H,3-4,7-8,10H2,1-2H3,(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)-3-methoxypyridin-2-amine?
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine has a molecular weight of 412.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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)-3-methoxypyridin-2-amine is sourced from PubChem (CID 170631276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).