ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one

C17H27N5O2 — CID 171811240

IUPACethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one
SMILESCC.CC.Cc1ccc2nc(C(=O)N3CCN(C)C(=O)C3)cn2n1
InChIInChI=1S/C13H15N5O2.2C2H6/c1-9-3-4-11-14-10(7-18(11)15-9)13(20)17-6-5-16(2)12(19)8-17;2*1-2/h3-4,7H,5-6,8H2,1-2H3;2*1-2H3
InChIKeyIIYTWJCEFJUMMS-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.00
Rot. Bonds1

About ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one

ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one (PubChem CID 171811240) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one
PubChem CID171811240
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Nameethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one
SMILESCC.CC.Cc1ccc2nc(C(=O)N3CCN(C)C(=O)C3)cn2n1
InChIInChI=1S/C13H15N5O2.2C2H6/c1-9-3-4-11-14-10(7-18(11)15-9)13(20)17-6-5-16(2)12(19)8-17;2*1-2/h3-4,7H,5-6,8H2,1-2H3;2*1-2H3
InChIKeyIIYTWJCEFJUMMS-UHFFFAOYSA-N
XLogP2.00
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Risdiplam
CID 118513932
Imidazo[1,2-a]pyridine-2-carbohydrazide
CID 3628165
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
Tyk2-IN-5
CID 91809175
N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[[1-(6-methylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122630882
N-cyclopropyl-8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605321
4-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 117977934
N-cyclobutyl-8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154661514
N-cyclopropyl-6-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 155510943
8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 155513034
N-[(1R,2S)-2-fluorocyclopropyl]-6-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 155514076
N-cyclopropyl-8-(methylamino)-6-[[1-(6-methylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 155516134

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one?
The IUPAC name of ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one (CID 171811240) is ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one?
The canonical SMILES for ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one is CC.CC.Cc1ccc2nc(C(=O)N3CCN(C)C(=O)C3)cn2n1.
What is the InChIKey of ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one?
The InChIKey is IIYTWJCEFJUMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.2C2H6/c1-9-3-4-11-14-10(7-18(11)15-9)13(20)17-6-5-16(2)12(19)8-17;2*1-2/h3-4,7H,5-6,8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one?
ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one has a molecular weight of 333.44 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 171811240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).