6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one

C20H26N6O — CID 126944416

IUPAC6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(c3ccc4nccn4n3)CC2)cn1
InChIInChI=1S/C20H26N6O/c1-20(2,3)16-12-19(27)25(14-22-16)13-15-6-9-24(10-7-15)18-5-4-17-21-8-11-26(17)23-18/h4-5,8,11-12,14-15H,6-7,9-10,13H2,1-3H3
InChIKeyQDWXZEAVCCDCPY-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.50
Rot. Bonds3

About 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one

6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one (PubChem CID 126944416) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one
PubChem CID126944416
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(c3ccc4nccn4n3)CC2)cn1
InChIInChI=1S/C20H26N6O/c1-20(2,3)16-12-19(27)25(14-22-16)13-15-6-9-24(10-7-15)18-5-4-17-21-8-11-26(17)23-18/h4-5,8,11-12,14-15H,6-7,9-10,13H2,1-3H3
InChIKeyQDWXZEAVCCDCPY-UHFFFAOYSA-N
XLogP2.50
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-3-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944617
3-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943467
3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 126944666
6-tert-butyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944613
6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944686
3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126944336
6-tert-butyl-3-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944389
6-tert-butyl-3-[[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944688
6-tert-butyl-3-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944619
6-tert-butyl-3-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944524
2-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126855700
6-tert-butyl-3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944683

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one (CID 126944416) is 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one is CC(C)(C)c1cc(=O)n(CC2CCN(c3ccc4nccn4n3)CC2)cn1.
What is the InChIKey of 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The InChIKey is QDWXZEAVCCDCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-20(2,3)16-12-19(27)25(14-22-16)13-15-6-9-24(10-7-15)18-5-4-17-21-8-11-26(17)23-18/h4-5,8,11-12,14-15H,6-7,9-10,13H2,1-3H3.
What are the key properties of 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one has a molecular weight of 366.47 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 126944416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).