2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine

C21H14F2N6O — CID 71007374

IUPAC2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
SMILESCc1oncc1-c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12
InChIInChI=1S/C21H14F2N6O/c1-12-15(10-26-30-12)14-7-8-24-11-19(14)27-21-25-9-13-5-6-18(28-29(13)21)20-16(22)3-2-4-17(20)23/h2-11H,1H3,(H,25,27)
InChIKeyVRYHWYULQWACJW-UHFFFAOYSA-N
MW404.38 g/mol
LogP4.78
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine

2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (PubChem CID 71007374) has the molecular formula C21H14F2N6O and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
PubChem CID71007374
Molecular FormulaC21H14F2N6O
Molecular Weight404.38 g/mol
Exact Mass404.12
IUPAC Name2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
SMILESCc1oncc1-c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12
InChIInChI=1S/C21H14F2N6O/c1-12-15(10-26-30-12)14-7-8-24-11-19(14)27-21-25-9-13-5-6-18(28-29(13)21)20-16(22)3-2-4-17(20)23/h2-11H,1H3,(H,25,27)
InChIKeyVRYHWYULQWACJW-UHFFFAOYSA-N
XLogP4.78
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
CID 70983625
2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
CID 159675594
2-(2,6-difluorophenyl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
CID 71007296
[(3S,4R)-1-[3-[[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-4-methylpiperidin-3-yl]carbamic acid
CID 90311361
[(3S,5R)-1-[3-[[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
CID 90311965
N-[4-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine;bis(2,2,2-trifluoroacetic acid)
CID 89158608
N-[4-[(3S)-3-aminopiperidin-1-yl]pyrimidin-5-yl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 71007352
4-[7-[[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]amino]imidazo[1,5-b]pyridazin-2-yl]-3,5-difluorophenol
CID 137043216
N-[4-[(1R,5R)-5-amino-3-methylcyclohex-3-en-1-yl]-3-pyridinyl]-2-[2,6-difluoro-4-(oxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 90252553
N-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfonylcyclohexyl]-3-pyridinyl]-2-(2,6-difluoro-4-methylphenyl)imidazo[1,5-b]pyridazin-7-amine
CID 90252598
3-[4-[7-[[4-(5-amino-3-methylcyclohex-3-en-1-yl)-3-pyridinyl]amino]imidazo[1,5-b]pyridazin-2-yl]-3,5-difluorophenyl]oxetan-3-ol
CID 123530916
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(oxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 90252013

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (CID 71007374) is 2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is Cc1oncc1-c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is VRYHWYULQWACJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O/c1-12-15(10-26-30-12)14-7-8-24-11-19(14)27-21-25-9-13-5-6-18(28-29(13)21)20-16(22)3-2-4-17(20)23/h2-11H,1H3,(H,25,27).
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 404.38 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 71007374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).