2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine

C19H25N7O — CID 155974879

IUPAC2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESCOc1ccnc(N2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n1
InChIInChI=1S/C19H25N7O/c1-19(2,3)14-13-26-15(21-14)5-6-16(23-26)24-9-11-25(12-10-24)18-20-8-7-17(22-18)27-4/h5-8,13H,9-12H2,1-4H3
InChIKeyCTVXJUFMZBXBPH-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.15
Rot. Bonds3

About 2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine

2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 155974879) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID155974879
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESCOc1ccnc(N2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n1
InChIInChI=1S/C19H25N7O/c1-19(2,3)14-13-26-15(21-14)5-6-16(23-26)24-9-11-25(12-10-24)18-20-8-7-17(22-18)27-4/h5-8,13H,9-12H2,1-4H3
InChIKeyCTVXJUFMZBXBPH-UHFFFAOYSA-N
XLogP2.15
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350565
4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582519
6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine
CID 163348421
2-tert-butyl-6-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350672
6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 146079208
1-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 171704098
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile
CID 155974931
4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 155975229
5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 155975009
4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154575576
2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
CID 163350559

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine (CID 155974879) is 2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine is COc1ccnc(N2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n1.
What is the InChIKey of 2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is CTVXJUFMZBXBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-19(2,3)14-13-26-15(21-14)5-6-16(23-26)24-9-11-25(12-10-24)18-20-8-7-17(22-18)27-4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine?
2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 367.46 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 155974879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).