6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid

C17H14F2N4O2 — CID 66684622

IUPAC6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C17H14F2N4O2/c18-11-3-1-2-10(6-11)13-7-12(19)9-22(13)16-5-4-15-20-8-14(17(24)25)23(15)21-16/h1-6,8,12-13H,7,9H2,(H,24,25)/t12-,13+/m0/s1
InChIKeyUGCMSLUCOHZPNN-QWHCGFSZSA-N
MW344.32 g/mol
LogP2.86
Rot. Bonds3

About 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid

6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 66684622) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID66684622
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C17H14F2N4O2/c18-11-3-1-2-10(6-11)13-7-12(19)9-22(13)16-5-4-15-20-8-14(17(24)25)23(15)21-16/h1-6,8,12-13H,7,9H2,(H,24,25)/t12-,13+/m0/s1
InChIKeyUGCMSLUCOHZPNN-QWHCGFSZSA-N
XLogP2.86
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 66684622) is 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid is O=C(O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is UGCMSLUCOHZPNN-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c18-11-3-1-2-10(6-11)13-7-12(19)9-22(13)16-5-4-15-20-8-14(17(24)25)23(15)21-16/h1-6,8,12-13H,7,9H2,(H,24,25)/t12-,13+/m0/s1.
What are the key properties of 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 344.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 66684622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).