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

C22H16F2N6O — CID 71007306

IUPAC2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
SMILESCc1noc(C)c1-c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12
InChIInChI=1S/C22H16F2N6O/c1-12-20(13(2)31-29-12)15-8-9-25-11-19(15)27-22-26-10-14-6-7-18(28-30(14)22)21-16(23)4-3-5-17(21)24/h3-11H,1-2H3,(H,26,27)
InChIKeyZWWDOCMUCGVMJK-UHFFFAOYSA-N
MW418.41 g/mol
LogP5.08
Rot. Bonds4

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

2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (PubChem CID 71007306) has the molecular formula C22H16F2N6O and a molecular weight of 418.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
PubChem CID71007306
Molecular FormulaC22H16F2N6O
Molecular Weight418.41 g/mol
Exact Mass418.14
IUPAC Name2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
SMILESCc1noc(C)c1-c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12
InChIInChI=1S/C22H16F2N6O/c1-12-20(13(2)31-29-12)15-8-9-25-11-19(15)27-22-26-10-14-6-7-18(28-30(14)22)21-16(23)4-3-5-17(21)24/h3-11H,1-2H3,(H,26,27)
InChIKeyZWWDOCMUCGVMJK-UHFFFAOYSA-N
XLogP5.08
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (CID 71007306) is 2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-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-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is Cc1noc(C)c1-c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is ZWWDOCMUCGVMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O/c1-12-20(13(2)31-29-12)15-8-9-25-11-19(15)27-22-26-10-14-6-7-18(28-30(14)22)21-16(23)4-3-5-17(21)24/h3-11H,1-2H3,(H,26,27).
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
2-(2,6-difluorophenyl)-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 418.41 g/mol, XLogP of 5.08, 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-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 71007306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).