3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide

C23H21F3N6O3 — CID 164515148

IUPAC3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCOc1cc(Cc2cnc3cc(C(=O)N(C)C)cnn23)cnc1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H21F3N6O3/c1-31(2)22(33)16-8-20-28-12-17(32(20)30-11-16)6-15-7-18(34-3)21(29-10-15)35-13-14-4-5-19(27-9-14)23(24,25)26/h4-5,7-12H,6,13H2,1-3H3
InChIKeyDXIOHCSCAKDZRK-UHFFFAOYSA-N
MW486.45 g/mol
LogP3.42
Rot. Bonds7

About 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide

3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 164515148) has the molecular formula C23H21F3N6O3 and a molecular weight of 486.45 g/mol. Its IUPAC name is 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID164515148
Molecular FormulaC23H21F3N6O3
Molecular Weight486.45 g/mol
Exact Mass486.16
IUPAC Name3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide
SMILESCOc1cc(Cc2cnc3cc(C(=O)N(C)C)cnn23)cnc1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H21F3N6O3/c1-31(2)22(33)16-8-20-28-12-17(32(20)30-11-16)6-15-7-18(34-3)21(29-10-15)35-13-14-4-5-19(27-9-14)23(24,25)26/h4-5,7-12H,6,13H2,1-3H3
InChIKeyDXIOHCSCAKDZRK-UHFFFAOYSA-N
XLogP3.42
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide with MolForge

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Related Compounds

Amg-337
CID 44181686
6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
CID 44181688
US10774086, Example 4
CID 134551585
US10774086, Example 24
CID 139465947
N-[3-fluoro-4-[5-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 11555216
N-(4-(6-(3-(dimethylamino)propoxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-4-yloxy)-3-fluorophenyl)nicotinamide
CID 21081793
3-(2-methoxyethoxy)-6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 44180247
3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 52932517
US10774086, Example 19
CID 134551554
US10774086, Example 23
CID 134551595
2-[3-[5-(2,2-Difluoroethoxy)-3-pyridyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 71819546
N,N-diethyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 76328955

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide (CID 164515148) is 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide is COc1cc(Cc2cnc3cc(C(=O)N(C)C)cnn23)cnc1OCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is DXIOHCSCAKDZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3/c1-31(2)22(33)16-8-20-28-12-17(32(20)30-11-16)6-15-7-18(34-3)21(29-10-15)35-13-14-4-5-19(27-9-14)23(24,25)26/h4-5,7-12H,6,13H2,1-3H3.
What are the key properties of 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide?
3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 486.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methoxy-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]methyl]-N,N-dimethylimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 164515148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).