ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone

C16H24N4O2 — CID 171811262

IUPACethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone
SMILESCC.CC(C)c1ccc2nc(C(=O)N3CCC(O)C3)cn2n1
InChIInChI=1S/C14H18N4O2.C2H6/c1-9(2)11-3-4-13-15-12(8-18(13)16-11)14(20)17-6-5-10(19)7-17;1-2/h3-4,8-10,19H,5-7H2,1-2H3;1-2H3
InChIKeyZVYPFIIWZYVHQZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.09
Rot. Bonds2

About ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone

ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone (PubChem CID 171811262) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone.

Molecular Properties

Compound Nameethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone
PubChem CID171811262
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Nameethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone
SMILESCC.CC(C)c1ccc2nc(C(=O)N3CCC(O)C3)cn2n1
InChIInChI=1S/C14H18N4O2.C2H6/c1-9(2)11-3-4-13-15-12(8-18(13)16-11)14(20)17-6-5-10(19)7-17;1-2/h3-4,8-10,19H,5-7H2,1-2H3;1-2H3
InChIKeyZVYPFIIWZYVHQZ-UHFFFAOYSA-N
XLogP2.09
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)
CID 165080148
(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 87050991
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 111561076
[1-(2-chlorophenyl)triazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561385
(3-hydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136745690
5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110087813
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105457173
(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200329
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methyl-4-propan-2-ylphenyl)methanone
CID 58969991
1-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030760

Frequently Asked Questions

What is the IUPAC name of ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone?
The IUPAC name of ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone (CID 171811262) is ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone.
What is the SMILES notation for ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone?
The canonical SMILES for ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone is CC.CC(C)c1ccc2nc(C(=O)N3CCC(O)C3)cn2n1.
What is the InChIKey of ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone?
The InChIKey is ZVYPFIIWZYVHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.C2H6/c1-9(2)11-3-4-13-15-12(8-18(13)16-11)14(20)17-6-5-10(19)7-17;1-2/h3-4,8-10,19H,5-7H2,1-2H3;1-2H3.
What are the key properties of ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone?
ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-hydroxypyrrolidin-1-yl)-(6-propan-2-ylimidazo[1,2-b]pyridazin-2-yl)methanone is sourced from PubChem (CID 171811262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).