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

C19H13F3N6O2 — CID 144734844

IUPAC8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3ccnc(=O)[nH]3)cnc12
InChIInChI=1S/C19H13F3N6O2/c1-10-8-13(11-4-2-3-5-12(11)19(20,21)22)27-28-14(9-24-16(10)28)17(29)25-15-6-7-23-18(30)26-15/h2-9H,1H3,(H2,23,25,26,29,30)
InChIKeyVBJDYVRKZQGDEE-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.06
Rot. Bonds3

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

8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 144734844) has the molecular formula C19H13F3N6O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID144734844
Molecular FormulaC19H13F3N6O2
Molecular Weight414.35 g/mol
Exact Mass414.11
IUPAC Name8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3ccnc(=O)[nH]3)cnc12
InChIInChI=1S/C19H13F3N6O2/c1-10-8-13(11-4-2-3-5-12(11)19(20,21)22)27-28-14(9-24-16(10)28)17(29)25-15-6-7-23-18(30)26-15/h2-9H,1H3,(H2,23,25,26,29,30)
InChIKeyVBJDYVRKZQGDEE-UHFFFAOYSA-N
XLogP3.06
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 144734844) is 8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3ccnc(=O)[nH]3)cnc12.
What is the InChIKey of 8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VBJDYVRKZQGDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O2/c1-10-8-13(11-4-2-3-5-12(11)19(20,21)22)27-28-14(9-24-16(10)28)17(29)25-15-6-7-23-18(30)26-15/h2-9H,1H3,(H2,23,25,26,29,30).
What are the key properties of 8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 414.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 144734844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).