8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C23H19F3N6O3 — CID 78098431

IUPAC8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3ccnc(OC4CCOC4)n3)cnc12
InChIInChI=1S/C23H19F3N6O3/c1-13-10-17(15-4-2-3-5-16(15)23(24,25)26)31-32-18(11-28-20(13)32)21(33)29-19-6-8-27-22(30-19)35-14-7-9-34-12-14/h2-6,8,10-11,14H,7,9,12H2,1H3,(H,27,29,30,33)
InChIKeyCTUZBOMIFDAWST-UHFFFAOYSA-N
MW484.44 g/mol
LogP3.93
Rot. Bonds5

About 8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 78098431) has the molecular formula C23H19F3N6O3 and a molecular weight of 484.44 g/mol. Its IUPAC name is 8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID78098431
Molecular FormulaC23H19F3N6O3
Molecular Weight484.44 g/mol
Exact Mass484.15
IUPAC Name8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3ccnc(OC4CCOC4)n3)cnc12
InChIInChI=1S/C23H19F3N6O3/c1-13-10-17(15-4-2-3-5-16(15)23(24,25)26)31-32-18(11-28-20(13)32)21(33)29-19-6-8-27-22(30-19)35-14-7-9-34-12-14/h2-6,8,10-11,14H,7,9,12H2,1H3,(H,27,29,30,33)
InChIKeyCTUZBOMIFDAWST-UHFFFAOYSA-N
XLogP3.93
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 78098431) is 8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3ccnc(OC4CCOC4)n3)cnc12.
What is the InChIKey of 8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is CTUZBOMIFDAWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3/c1-13-10-17(15-4-2-3-5-16(15)23(24,25)26)31-32-18(11-28-20(13)32)21(33)29-19-6-8-27-22(30-19)35-14-7-9-34-12-14/h2-6,8,10-11,14H,7,9,12H2,1H3,(H,27,29,30,33).
What are the key properties of 8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 484.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 78098431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).