N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

C20H18F3N5O — CID 126709246

IUPACN-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1=Cc2ncc(C(=O)NC3=CC=CNC3)n2NC1c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N5O/c1-12-9-17-25-11-16(19(29)26-13-5-4-8-24-10-13)28(17)27-18(12)14-6-2-3-7-15(14)20(21,22)23/h2-9,11,18,24,27H,10H2,1H3,(H,26,29)
InChIKeyXFXRFYZKCYPCDP-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.33
Rot. Bonds3

About N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709246) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126709246
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC NameN-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1=Cc2ncc(C(=O)NC3=CC=CNC3)n2NC1c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N5O/c1-12-9-17-25-11-16(19(29)26-13-5-4-8-24-10-13)28(17)27-18(12)14-6-2-3-7-15(14)20(21,22)23/h2-9,11,18,24,27H,10H2,1H3,(H,26,29)
InChIKeyXFXRFYZKCYPCDP-UHFFFAOYSA-N
XLogP3.33
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 126709246) is N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is CC1=Cc2ncc(C(=O)NC3=CC=CNC3)n2NC1c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is XFXRFYZKCYPCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c1-12-9-17-25-11-16(19(29)26-13-5-4-8-24-10-13)28(17)27-18(12)14-6-2-3-7-15(14)20(21,22)23/h2-9,11,18,24,27H,10H2,1H3,(H,26,29).
What are the key properties of N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydropyridin-3-yl)-7-methyl-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).