2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C19H17F3N4O — CID 144734827

IUPAC2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESC=C(C)NC(=O)c1c(C)nc2c(C)cc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C19H17F3N4O/c1-10(2)23-18(27)16-12(4)24-17-11(3)9-15(25-26(16)17)13-7-5-6-8-14(13)19(20,21)22/h5-9H,1H2,2-4H3,(H,23,27)
InChIKeyPJZAKNJXJVONHH-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.30
Rot. Bonds3

About 2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 144734827) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID144734827
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESC=C(C)NC(=O)c1c(C)nc2c(C)cc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C19H17F3N4O/c1-10(2)23-18(27)16-12(4)24-17-11(3)9-15(25-26(16)17)13-7-5-6-8-14(13)19(20,21)22/h5-9H,1H2,2-4H3,(H,23,27)
InChIKeyPJZAKNJXJVONHH-UHFFFAOYSA-N
XLogP4.30
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 144734827) is 2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is C=C(C)NC(=O)c1c(C)nc2c(C)cc(-c3ccccc3C(F)(F)F)nn12.
What is the InChIKey of 2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is PJZAKNJXJVONHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-10(2)23-18(27)16-12(4)24-17-11(3)9-15(25-26(16)17)13-7-5-6-8-14(13)19(20,21)22/h5-9H,1H2,2-4H3,(H,23,27).
What are the key properties of 2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 144734827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).