N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide

C20H21FN8O — CID 170593655

IUPACN-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide
SMILESCCN1CC(C(=O)Nc2cn3cc(-c4cc(C)c5nc(C)nn5n4)cc(F)c3n2)C1
InChIInChI=1S/C20H21FN8O/c1-4-27-7-14(8-27)20(30)24-17-10-28-9-13(6-15(21)19(28)23-17)16-5-11(2)18-22-12(3)25-29(18)26-16/h5-6,9-10,14H,4,7-8H2,1-3H3,(H,24,30)
InChIKeyZAHBBPSMENYRJE-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.09
Rot. Bonds4

About N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide

N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide (PubChem CID 170593655) has the molecular formula C20H21FN8O and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide
PubChem CID170593655
Molecular FormulaC20H21FN8O
Molecular Weight408.44 g/mol
Exact Mass408.18
IUPAC NameN-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide
SMILESCCN1CC(C(=O)Nc2cn3cc(-c4cc(C)c5nc(C)nn5n4)cc(F)c3n2)C1
InChIInChI=1S/C20H21FN8O/c1-4-27-7-14(8-27)20(30)24-17-10-28-9-13(6-15(21)19(28)23-17)16-5-11(2)18-22-12(3)25-29(18)26-16/h5-6,9-10,14H,4,7-8H2,1-3H3,(H,24,30)
InChIKeyZAHBBPSMENYRJE-UHFFFAOYSA-N
XLogP2.09
TPSA92.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide with MolForge

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Related Compounds

N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide
CID 170594058
N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]azetidine-3-carboxamide
CID 170340705
N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide
CID 170593508
N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide
CID 170593703
N'-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethane-1,2-diamine
CID 170593804
6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 170593579
N-[6-[2-fluoro-6-(hydroxymethyl)-4-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686347
6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine;N,N-dimethylmethanamine
CID 177038472
6-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593629
6-[8-fluoro-2-[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593790
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-N-[[(2R)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 170340784
6-(2-cyclopent-3-en-1-yl-8-fluoroimidazo[1,2-a]pyridin-6-yl)-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170340773

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide?
The IUPAC name of N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide (CID 170593655) is N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide.
What is the SMILES notation for N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide?
The canonical SMILES for N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide is CCN1CC(C(=O)Nc2cn3cc(-c4cc(C)c5nc(C)nn5n4)cc(F)c3n2)C1.
What is the InChIKey of N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide?
The InChIKey is ZAHBBPSMENYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN8O/c1-4-27-7-14(8-27)20(30)24-17-10-28-9-13(6-15(21)19(28)23-17)16-5-11(2)18-22-12(3)25-29(18)26-16/h5-6,9-10,14H,4,7-8H2,1-3H3,(H,24,30).
What are the key properties of N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide?
N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide is sourced from PubChem (CID 170593655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).