cis-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C17H16FN3O4 — CID 120676595

IUPACcis-(1S,3R)-3-[[1-(2-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(-c2ccccc2F)n1
InChIInChI=1S/C17H16FN3O4/c18-12-3-1-2-4-14(12)21-15(22)8-7-13(20-21)16(23)19-11-6-5-10(9-11)17(24)25/h1-4,7-8,10-11H,5-6,9H2,(H,19,23)(H,24,25)/t10-,11+/m0/s1
InChIKeyUZFSWNISXDFPQC-WDEREUQCSA-N
MW345.33 g/mol
LogP1.35
Rot. Bonds4

About cis-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676595) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676595
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Namecis-(1S,3R)-3-[[1-(2-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(-c2ccccc2F)n1
InChIInChI=1S/C17H16FN3O4/c18-12-3-1-2-4-14(12)21-15(22)8-7-13(20-21)16(23)19-11-6-5-10(9-11)17(24)25/h1-4,7-8,10-11H,5-6,9H2,(H,19,23)(H,24,25)/t10-,11+/m0/s1
InChIKeyUZFSWNISXDFPQC-WDEREUQCSA-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-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120676595) is cis-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[1-(2-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(-c2ccccc2F)n1.
What is the InChIKey of cis-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is UZFSWNISXDFPQC-WDEREUQCSA-N. The full InChI is InChI=1S/C17H16FN3O4/c18-12-3-1-2-4-14(12)21-15(22)8-7-13(20-21)16(23)19-11-6-5-10(9-11)17(24)25/h1-4,7-8,10-11H,5-6,9H2,(H,19,23)(H,24,25)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[1-(2-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-(1S,3R)-3-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).