2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid

C20H17FN6O2 — CID 71278226

IUPAC2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
SMILESCc1nc2cccc(F)c2nc1-c1cn2nc(N3CCCC3)cc(C(=O)O)c2n1
InChIInChI=1S/C20H17FN6O2/c1-11-17(24-18-13(21)5-4-6-14(18)22-11)15-10-27-19(23-15)12(20(28)29)9-16(25-27)26-7-2-3-8-26/h4-6,9-10H,2-3,7-8H2,1H3,(H,28,29)
InChIKeyISOCOPFSFBKEOV-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.09
Rot. Bonds3

About 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid

2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid (PubChem CID 71278226) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid.

Molecular Properties

Compound Name2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
PubChem CID71278226
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC Name2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
SMILESCc1nc2cccc(F)c2nc1-c1cn2nc(N3CCCC3)cc(C(=O)O)c2n1
InChIInChI=1S/C20H17FN6O2/c1-11-17(24-18-13(21)5-4-6-14(18)22-11)15-10-27-19(23-15)12(20(28)29)9-16(25-27)26-7-2-3-8-26/h4-6,9-10H,2-3,7-8H2,1H3,(H,28,29)
InChIKeyISOCOPFSFBKEOV-UHFFFAOYSA-N
XLogP3.09
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-(2-fluoropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67774901
5-(2-(2-fluoropyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775880
3-[(1-Methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
CID 90225370
US10040779, Example 41
CID 76283260
US10040779, Example 50
CID 76283502
1-Methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]benzimidazole-4-carboxylic acid
CID 164866578
1-(1-(1-cyclohexyl-3-(difluoromethyl)-1H-pyrazol-4-yl)-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 170733177
1-{[1-(5-Fluoropentyl)-1h-pyrrolo[2,3-b]pyridine-3-carbonyl]oxy}-1h-benzotriazole
CID 137332283
ethyl 2-amino-1-(2-pyridinylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 2309558
6-[2-[2-(Dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 136549723
4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 21966494
6-[6-[2-(3-Fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 58335516

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid?
The IUPAC name of 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid (CID 71278226) is 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid.
What is the SMILES notation for 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid?
The canonical SMILES for 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid is Cc1nc2cccc(F)c2nc1-c1cn2nc(N3CCCC3)cc(C(=O)O)c2n1.
What is the InChIKey of 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid?
The InChIKey is ISOCOPFSFBKEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-11-17(24-18-13(21)5-4-6-14(18)22-11)15-10-27-19(23-15)12(20(28)29)9-16(25-27)26-7-2-3-8-26/h4-6,9-10H,2-3,7-8H2,1H3,(H,28,29).
What are the key properties of 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid?
2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid has a molecular weight of 392.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylic acid is sourced from PubChem (CID 71278226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).