5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide

C21H24N8O2 — CID 158119230

IUPAC5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OCCN(C)C)nn23)c1
InChIInChI=1S/C21H24N8O2/c1-22-20(30)15-7-14(9-23-10-15)18-12-24-19-8-17(16-11-25-28(4)13-16)21(26-29(18)19)31-6-5-27(2)3/h7-13H,5-6H2,1-4H3,(H,22,30)
InChIKeyFRKAXDIDQXFEFR-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.49
Rot. Bonds7

About 5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide

5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide (PubChem CID 158119230) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide
PubChem CID158119230
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OCCN(C)C)nn23)c1
InChIInChI=1S/C21H24N8O2/c1-22-20(30)15-7-14(9-23-10-15)18-12-24-19-8-17(16-11-25-28(4)13-16)21(26-29(18)19)31-6-5-27(2)3/h7-13H,5-6H2,1-4H3,(H,22,30)
InChIKeyFRKAXDIDQXFEFR-UHFFFAOYSA-N
XLogP1.49
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Amg-337
CID 44181686
5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135505670
Fgfr2/3-IN-1
CID 156273389
5-(5-Acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135530119
6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
CID 44179999
US10774086, Example 24
CID 139465947
US11566028, Example 3
CID 156273343
US11566028, Example 9
CID 156273425
4-fluoro-N,3-dimethyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 158373510
3,4-difluoro-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 159928129
3-(difluoromethyl)-4-fluoro-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 161384589
N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162265809

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide (CID 158119230) is 5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OCCN(C)C)nn23)c1.
What is the InChIKey of 5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is FRKAXDIDQXFEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-22-20(30)15-7-14(9-23-10-15)18-12-24-19-8-17(16-11-25-28(4)13-16)21(26-29(18)19)31-6-5-27(2)3/h7-13H,5-6H2,1-4H3,(H,22,30).
What are the key properties of 5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(dimethylamino)ethoxy]-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 158119230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).