[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone

C22H30N6O2 — CID 154576307

IUPAC[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)nn1C
InChIInChI=1S/C22H30N6O2/c1-15-12-17(24-26(15)5)21(29)27-10-8-16(9-11-27)14-30-20-7-6-19-23-18(22(2,3)4)13-28(19)25-20/h6-7,12-13,16H,8-11,14H2,1-5H3
InChIKeyNFBSLMNYBSWJBP-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.00
Rot. Bonds4

About [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone

[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 154576307) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
PubChem CID154576307
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)nn1C
InChIInChI=1S/C22H30N6O2/c1-15-12-17(24-26(15)5)21(29)27-10-8-16(9-11-27)14-30-20-7-6-19-23-18(22(2,3)4)13-28(19)25-20/h6-7,12-13,16H,8-11,14H2,1-5H3
InChIKeyNFBSLMNYBSWJBP-UHFFFAOYSA-N
XLogP3.00
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 154576264
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 154576279
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 154576280
5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 154576321
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 154576300
4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 154576239
2-[2-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 154576383
(2,5-dimethylfuran-3-yl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
CID 154581448
6-tert-butyl-2-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862256
[4-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 154576392
[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 154581438
(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
CID 163358243

Frequently Asked Questions

What is the IUPAC name of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone (CID 154576307) is [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)nn1C.
What is the InChIKey of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is NFBSLMNYBSWJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-15-12-17(24-26(15)5)21(29)27-10-8-16(9-11-27)14-30-20-7-6-19-23-18(22(2,3)4)13-28(19)25-20/h6-7,12-13,16H,8-11,14H2,1-5H3.
What are the key properties of [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 410.52 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 154576307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).