3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one

C18H16FN5O2 — CID 158684689

IUPAC3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one
SMILESCC(=O)c1cnc2ccc(N3CCC4CC43c3cc(F)c[nH]c3=O)nn12
InChIInChI=1S/C18H16FN5O2/c1-10(25)14-9-20-15-2-3-16(22-24(14)15)23-5-4-11-7-18(11,23)13-6-12(19)8-21-17(13)26/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,21,26)
InChIKeyIFOVOYURSZHHHW-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.88
Rot. Bonds3

About 3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one

3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one (PubChem CID 158684689) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one
PubChem CID158684689
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one
SMILESCC(=O)c1cnc2ccc(N3CCC4CC43c3cc(F)c[nH]c3=O)nn12
InChIInChI=1S/C18H16FN5O2/c1-10(25)14-9-20-15-2-3-16(22-24(14)15)23-5-4-11-7-18(11,23)13-6-12(19)8-21-17(13)26/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,21,26)
InChIKeyIFOVOYURSZHHHW-UHFFFAOYSA-N
XLogP1.88
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one with MolForge

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Related Compounds

5-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 56676913
(4S,6R,7R,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione
CID 142589451
(4R,6S,7S,13S)-10-fluoro-13-methyl-2,12,15,19,20,23-hexazahexacyclo[15.5.2.18,12.02,7.04,6.020,24]pentacosa-1(23),8,10,17(24),18,21-hexaene-16,25-dione
CID 155379634
(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
5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide
CID 44520443
N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56941003
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide
CID 56942453
N-(1-acetylpiperidin-4-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56942927
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624390
6-[[4-[(3R)-3-amino-2-oxobutyl]cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624564
8-(cyclopropylamino)-6-[[4-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]amino]-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624572

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 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) is 3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one is CC(=O)c1cnc2ccc(N3CCC4CC43c3cc(F)c[nH]c3=O)nn12.
What is the InChIKey of 3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one?
The InChIKey is IFOVOYURSZHHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-10(25)14-9-20-15-2-3-16(22-24(14)15)23-5-4-11-7-18(11,23)13-6-12(19)8-21-17(13)26/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,21,26).
What are the key properties of 3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one?
3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one has a molecular weight of 353.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-acetylimidazo[1,2-b]pyridazin-6-yl)-2-azabicyclo[3.1.0]hexan-1-yl]-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 158684689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).