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[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C18H21N5O2S — CID 154581438

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cn2nc(OCC3CCN(C(=O)c4scnc4C)CC3)ccc2n1
InChIInChI=1S/C18H21N5O2S/c1-12-9-23-15(20-12)3-4-16(21-23)25-10-14-5-7-22(8-6-14)18(24)17-13(2)19-11-26-17/h3-4,9,11,14H,5-8,10H2,1-2H3
InChIKeyABXUUKSSSWTBFT-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.73
Rot. Bonds4

About [4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 154581438) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is [4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID154581438
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cn2nc(OCC3CCN(C(=O)c4scnc4C)CC3)ccc2n1
InChIInChI=1S/C18H21N5O2S/c1-12-9-23-15(20-12)3-4-16(21-23)25-10-14-5-7-22(8-6-14)18(24)17-13(2)19-11-26-17/h3-4,9,11,14H,5-8,10H2,1-2H3
InChIKeyABXUUKSSSWTBFT-UHFFFAOYSA-N
XLogP2.73
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 154581438) is [4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1cn2nc(OCC3CCN(C(=O)c4scnc4C)CC3)ccc2n1.
What is the InChIKey of [4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is ABXUUKSSSWTBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-9-23-15(20-12)3-4-16(21-23)25-10-14-5-7-22(8-6-14)18(24)17-13(2)19-11-26-17/h3-4,9,11,14H,5-8,10H2,1-2H3.
What are the key properties of [4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 371.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 154581438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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