7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one

C27H25FN6O3 — CID 123510230

IUPAC7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one
SMILESCC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN4C(=O)C(c5cccnc5)OC4C3)nc12
InChIInChI=1S/C27H25FN6O3/c1-16(2)20-12-21(17-5-7-19(28)8-6-17)31-34-14-22(30-25(20)34)26(35)32-10-11-33-23(15-32)37-24(27(33)36)18-4-3-9-29-13-18/h3-9,12-14,16,23-24H,10-11,15H2,1-2H3
InChIKeyAHCGDMOSFVEMGQ-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.44
Rot. Bonds4

About 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one

7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one (PubChem CID 123510230) has the molecular formula C27H25FN6O3 and a molecular weight of 500.53 g/mol. Its IUPAC name is 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one
PubChem CID123510230
Molecular FormulaC27H25FN6O3
Molecular Weight500.53 g/mol
Exact Mass500.20
IUPAC Name7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one
SMILESCC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN4C(=O)C(c5cccnc5)OC4C3)nc12
InChIInChI=1S/C27H25FN6O3/c1-16(2)20-12-21(17-5-7-19(28)8-6-17)31-34-14-22(30-25(20)34)26(35)32-10-11-33-23(15-32)37-24(27(33)36)18-4-3-9-29-13-18/h3-9,12-14,16,23-24H,10-11,15H2,1-2H3
InChIKeyAHCGDMOSFVEMGQ-UHFFFAOYSA-N
XLogP3.44
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one with MolForge

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Related Compounds

N-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CID 11720813
4-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
CID 155567301
US11186582, Example 538
CID 118471423
US11618753, Example 1720
CID 139349050
3-(4-fluorophenyl)-2-(methoxymethyl)-7-(pyridin-3-ylmethyl)pyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
CID 45591654
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56942016
[6-[6-[2-(3-Fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 58335683
1-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 58335700
[4-[6-[6-[2-(3-Fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 58335908
1-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one
CID 66684704
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 76468580
1-[4-[6-[6-[2-(3-Fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 76765291

Frequently Asked Questions

What is the IUPAC name of 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one?
The IUPAC name of 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one (CID 123510230) is 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one.
What is the SMILES notation for 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one?
The canonical SMILES for 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one is CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN4C(=O)C(c5cccnc5)OC4C3)nc12.
What is the InChIKey of 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one?
The InChIKey is AHCGDMOSFVEMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O3/c1-16(2)20-12-21(17-5-7-19(28)8-6-17)31-34-14-22(30-25(20)34)26(35)32-10-11-33-23(15-32)37-24(27(33)36)18-4-3-9-29-13-18/h3-9,12-14,16,23-24H,10-11,15H2,1-2H3.
What are the key properties of 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one?
7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one has a molecular weight of 500.53 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-pyridin-3-yl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one is sourced from PubChem (CID 123510230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).