(5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H17N5O3 — CID 95723888

IUPAC(5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1C[C@@]2(CCCN(C(=O)c3cnc4cccnn34)C2)OC1=O
InChIInChI=1S/C15H17N5O3/c1-18-9-15(23-14(18)22)5-3-7-19(10-15)13(21)11-8-16-12-4-2-6-17-20(11)12/h2,4,6,8H,3,5,7,9-10H2,1H3/t15-/m1/s1
InChIKeyURBRHIQRLGAZQE-OAHLLOKOSA-N
MW315.33 g/mol
LogP0.79
Rot. Bonds1

About (5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95723888) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is (5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95723888
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name(5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1C[C@@]2(CCCN(C(=O)c3cnc4cccnn34)C2)OC1=O
InChIInChI=1S/C15H17N5O3/c1-18-9-15(23-14(18)22)5-3-7-19(10-15)13(21)11-8-16-12-4-2-6-17-20(11)12/h2,4,6,8H,3,5,7,9-10H2,1H3/t15-/m1/s1
InChIKeyURBRHIQRLGAZQE-OAHLLOKOSA-N
XLogP0.79
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US11142526, Example 143
CID 137533037
US11142526, Example 168
CID 149336681
ethyl 4-({(1R*,2S*)-2-[(imidazo[1,2-b]pyridazin-3-ylcarbonyl)amino]cyclobutyl}amino)-1-piperidinecarboxylate
CID 56916207
2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide
CID 95895496
5-methyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 129357703
Tert-butyl 4-[[6-[2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 66695501
tert-butyl 4-[[6-[(2R)-2-[(6R)-5-fluoro-6-methylcyclohexa-1,3-dien-1-yl]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 68076314
1,1,1,3,3,3-Hexafluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 137533145
N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 145397873
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 132219865
[(8aS)-7,7-difluoro-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
CID 138045853
1,1,1-Trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate
CID 159301063

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95723888) is (5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1C[C@@]2(CCCN(C(=O)c3cnc4cccnn34)C2)OC1=O.
What is the InChIKey of (5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is URBRHIQRLGAZQE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-18-9-15(23-14(18)22)5-3-7-19(10-15)13(21)11-8-16-12-4-2-6-17-20(11)12/h2,4,6,8H,3,5,7,9-10H2,1H3/t15-/m1/s1.
What are the key properties of (5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 315.33 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95723888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).