8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone

C14H16N4O — CID 171945560

IUPAC8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone
SMILESO=C(c1cnc2cccnn12)C1CC2CCC(C1)N2
InChIInChI=1S/C14H16N4O/c19-14(9-6-10-3-4-11(7-9)17-10)12-8-15-13-2-1-5-16-18(12)13/h1-2,5,8-11,17H,3-4,6-7H2
InChIKeyKEYWEKNKTOUPMW-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.44
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone

8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone (PubChem CID 171945560) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone
PubChem CID171945560
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone
SMILESO=C(c1cnc2cccnn12)C1CC2CCC(C1)N2
InChIInChI=1S/C14H16N4O/c19-14(9-6-10-3-4-11(7-9)17-10)12-8-15-13-2-1-5-16-18(12)13/h1-2,5,8-11,17H,3-4,6-7H2
InChIKeyKEYWEKNKTOUPMW-UHFFFAOYSA-N
XLogP1.44
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S,15R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one
CID 153074602
(6R,15R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one
CID 153074603
1-[6-[(2R)-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]ethanone
CID 144344739
3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one
CID 158684689
N-[(S)-(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 166500071
N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 166500443
N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(2,3,3-trifluoropropyl)triazole-4-carboxamide
CID 175397214
1-Imidazo[1,2-b]pyridazin-2-yl-2-methylpropan-1-one
CID 59326840
1-Imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one
CID 69097594
1-[6-[4-(1-Aminocyclopentanecarbonyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]ethanone
CID 141633561
(6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one
CID 142589519
2-[(3S)-pyrrolidin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 160149273

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone (CID 171945560) is 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone is O=C(c1cnc2cccnn12)C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone?
The InChIKey is KEYWEKNKTOUPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(9-6-10-3-4-11(7-9)17-10)12-8-15-13-2-1-5-16-18(12)13/h1-2,5,8-11,17H,3-4,6-7H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone?
8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone is sourced from PubChem (CID 171945560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).