1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C18H23N5O2 — CID 163305304

IUPAC1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)c2cnc3cccnn23)C1=O
InChIInChI=1S/C18H23N5O2/c1-13(2)21-10-4-7-18(17(21)25)8-5-11-22(18)16(24)14-12-19-15-6-3-9-20-23(14)15/h3,6,9,12-13H,4-5,7-8,10-11H2,1-2H3
InChIKeyLJOIBQGPTQGWGM-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.73
Rot. Bonds2

About 1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163305304) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163305304
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)c2cnc3cccnn23)C1=O
InChIInChI=1S/C18H23N5O2/c1-13(2)21-10-4-7-18(17(21)25)8-5-11-22(18)16(24)14-12-19-15-6-3-9-20-23(14)15/h3,6,9,12-13H,4-5,7-8,10-11H2,1-2H3
InChIKeyLJOIBQGPTQGWGM-UHFFFAOYSA-N
XLogP1.73
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 163305304) is 1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2C(=O)c2cnc3cccnn23)C1=O.
What is the InChIKey of 1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is LJOIBQGPTQGWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(2)21-10-4-7-18(17(21)25)8-5-11-22(18)16(24)14-12-19-15-6-3-9-20-23(14)15/h3,6,9,12-13H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 341.42 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163305304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).