[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol

C20H23FN6O — CID 177159532

IUPAC[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol
SMILESOCc1cc(F)c(-c2cnc3ccc(C4CC4)nn23)nc1NC1CCCNC1
InChIInChI=1S/C20H23FN6O/c21-15-8-13(11-28)20(24-14-2-1-7-22-9-14)25-19(15)17-10-23-18-6-5-16(12-3-4-12)26-27(17)18/h5-6,8,10,12,14,22,28H,1-4,7,9,11H2,(H,24,25)
InChIKeyHWWZCRHSUZAIKQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.46
Rot. Bonds5

About [6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol

[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol (PubChem CID 177159532) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is [6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol
PubChem CID177159532
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol
SMILESOCc1cc(F)c(-c2cnc3ccc(C4CC4)nn23)nc1NC1CCCNC1
InChIInChI=1S/C20H23FN6O/c21-15-8-13(11-28)20(24-14-2-1-7-22-9-14)25-19(15)17-10-23-18-6-5-16(12-3-4-12)26-27(17)18/h5-6,8,10,12,14,22,28H,1-4,7,9,11H2,(H,24,25)
InChIKeyHWWZCRHSUZAIKQ-UHFFFAOYSA-N
XLogP2.46
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol?
The IUPAC name of [6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol (CID 177159532) is [6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol?
The canonical SMILES for [6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol is OCc1cc(F)c(-c2cnc3ccc(C4CC4)nn23)nc1NC1CCCNC1.
What is the InChIKey of [6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol?
The InChIKey is HWWZCRHSUZAIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-15-8-13(11-28)20(24-14-2-1-7-22-9-14)25-19(15)17-10-23-18-6-5-16(12-3-4-12)26-27(17)18/h5-6,8,10,12,14,22,28H,1-4,7,9,11H2,(H,24,25).
What are the key properties of [6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol?
[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol has a molecular weight of 382.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol is sourced from PubChem (CID 177159532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).