N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide

C19H23F3N8O — CID 75201522

IUPACN,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C19H23F3N8O/c1-11-15(19(20,21)22)25-16-13(17(31)23-2)10-12(26-30(11)16)6-7-14-24-18(27-28(14)3)29-8-4-5-9-29/h10H,4-9H2,1-3H3,(H,23,31)
InChIKeyLSZGCPJCYITHNT-UHFFFAOYSA-N
MW436.44 g/mol
LogP1.93
Rot. Bonds5

About N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide

N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 75201522) has the molecular formula C19H23F3N8O and a molecular weight of 436.44 g/mol. Its IUPAC name is N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID75201522
Molecular FormulaC19H23F3N8O
Molecular Weight436.44 g/mol
Exact Mass436.19
IUPAC NameN,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C19H23F3N8O/c1-11-15(19(20,21)22)25-16-13(17(31)23-2)10-12(26-30(11)16)6-7-14-24-18(27-28(14)3)29-8-4-5-9-29/h10H,4-9H2,1-3H3,(H,23,31)
InChIKeyLSZGCPJCYITHNT-UHFFFAOYSA-N
XLogP1.93
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

US10399985, Example 31
CID 118278223
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 165414967
(4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide
CID 75201281
N-methyl-5-[6-(methylamino)-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
CID 157566736
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-1H-pyrrolo[2,3-b] pyridine-3-carboxamide
CID 118538696
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
CID 118538715
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(3-(2-methyl-1H-imidazol-1-yl) propyl)-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl) isonicotinamide
CID 118538736
US11142525, Example 15
CID 146572153
US11142525, Example 120
CID 146593033
US11142525, Example 113
CID 146593154
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 165414912
(S)-4-(6-(3-(1H-imidazol-1-yl)propylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 49865213

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 75201522) is N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide is CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C(F)(F)F)nc12.
What is the InChIKey of N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is LSZGCPJCYITHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N8O/c1-11-15(19(20,21)22)25-16-13(17(31)23-2)10-12(26-30(11)16)6-7-14-24-18(27-28(14)3)29-8-4-5-9-29/h10H,4-9H2,1-3H3,(H,23,31).
What are the key properties of N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 75201522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).