(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C17H16FN3O4 — CID 124695620

IUPAC(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H16FN3O4/c1-17(16(24)25)8-9-20(10-17)15(23)13-6-7-14(22)21(19-13)12-4-2-11(18)3-5-12/h2-7H,8-10H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyUFRLZVXRKLOUIQ-QGZVFWFLSA-N
MW345.33 g/mol
LogP1.31
Rot. Bonds3

About (3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 124695620) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is (3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID124695620
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H16FN3O4/c1-17(16(24)25)8-9-20(10-17)15(23)13-6-7-14(22)21(19-13)12-4-2-11(18)3-5-12/h2-7H,8-10H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyUFRLZVXRKLOUIQ-QGZVFWFLSA-N
XLogP1.31
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 124695620) is (3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of (3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UFRLZVXRKLOUIQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-17(16(24)25)8-9-20(10-17)15(23)13-6-7-14(22)21(19-13)12-4-2-11(18)3-5-12/h2-7H,8-10H2,1H3,(H,24,25)/t17-/m1/s1.
What are the key properties of (3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 345.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124695620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).