2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid

C20H16F2N6O2 — CID 71278159

IUPAC2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid
SMILESCc1nc2cccc(F)c2nc1-c1cn2nc(N3CC[C@@H](F)C3)cc(C(=O)O)c2n1
InChIInChI=1S/C20H16F2N6O2/c1-10-17(25-18-13(22)3-2-4-14(18)23-10)15-9-28-19(24-15)12(20(29)30)7-16(26-28)27-6-5-11(21)8-27/h2-4,7,9,11H,5-6,8H2,1H3,(H,29,30)/t11-/m1/s1
InChIKeyRBFFAIOPKPLLIL-LLVKDONJSA-N
MW410.38 g/mol
LogP3.03
Rot. Bonds3

About 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid

2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid (PubChem CID 71278159) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid.

Molecular Properties

Compound Name2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid
PubChem CID71278159
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC Name2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid
SMILESCc1nc2cccc(F)c2nc1-c1cn2nc(N3CC[C@@H](F)C3)cc(C(=O)O)c2n1
InChIInChI=1S/C20H16F2N6O2/c1-10-17(25-18-13(22)3-2-4-14(18)23-10)15-9-28-19(24-15)12(20(29)30)7-16(26-28)27-6-5-11(21)8-27/h2-4,7,9,11H,5-6,8H2,1H3,(H,29,30)/t11-/m1/s1
InChIKeyRBFFAIOPKPLLIL-LLVKDONJSA-N
XLogP3.03
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid?
The IUPAC name of 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid (CID 71278159) is 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid.
What is the SMILES notation for 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid?
The canonical SMILES for 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid is Cc1nc2cccc(F)c2nc1-c1cn2nc(N3CC[C@@H](F)C3)cc(C(=O)O)c2n1.
What is the InChIKey of 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid?
The InChIKey is RBFFAIOPKPLLIL-LLVKDONJSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-10-17(25-18-13(22)3-2-4-14(18)23-10)15-9-28-19(24-15)12(20(29)30)7-16(26-28)27-6-5-11(21)8-27/h2-4,7,9,11H,5-6,8H2,1H3,(H,29,30)/t11-/m1/s1.
What are the key properties of 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid?
2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid has a molecular weight of 410.38 g/mol, XLogP of 3.03, 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-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylic acid is sourced from PubChem (CID 71278159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).