cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C17H16FN3O4 — CID 120679061

IUPACcis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3O4/c18-11-2-5-13(6-3-11)21-15(22)8-7-14(20-21)16(23)19-12-4-1-10(9-12)17(24)25/h2-3,5-8,10,12H,1,4,9H2,(H,19,23)(H,24,25)/t10-,12+/m1/s1
InChIKeyGZEXIYCAQPFJGY-PWSUYJOCSA-N
MW345.33 g/mol
LogP1.35
Rot. Bonds4

About cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120679061) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120679061
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Namecis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3O4/c18-11-2-5-13(6-3-11)21-15(22)8-7-14(20-21)16(23)19-12-4-1-10(9-12)17(24)25/h2-3,5-8,10,12H,1,4,9H2,(H,19,23)(H,24,25)/t10-,12+/m1/s1
InChIKeyGZEXIYCAQPFJGY-PWSUYJOCSA-N
XLogP1.35
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120679061) is cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is GZEXIYCAQPFJGY-PWSUYJOCSA-N. The full InChI is InChI=1S/C17H16FN3O4/c18-11-2-5-13(6-3-11)21-15(22)8-7-14(20-21)16(23)19-12-4-1-10(9-12)17(24)25/h2-3,5-8,10,12H,1,4,9H2,(H,19,23)(H,24,25)/t10-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 345.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120679061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).