(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid

C15H10FN3O3 — CID 170733168

IUPAC(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid
SMILESO=C1Nc2ccc(F)cc2/C1=C1\CCc2c1n[nH]c2C(=O)O
InChIInChI=1S/C15H10FN3O3/c16-6-1-4-10-9(5-6)11(14(20)17-10)7-2-3-8-12(7)18-19-13(8)15(21)22/h1,4-5H,2-3H2,(H,17,20)(H,18,19)(H,21,22)/b11-7-
InChIKeySIMGVNAEFLFMJB-XFFZJAGNSA-N
MW299.26 g/mol
LogP2.06
Rot. Bonds1

About (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid

(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid (PubChem CID 170733168) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid
PubChem CID170733168
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid
SMILESO=C1Nc2ccc(F)cc2/C1=C1\CCc2c1n[nH]c2C(=O)O
InChIInChI=1S/C15H10FN3O3/c16-6-1-4-10-9(5-6)11(14(20)17-10)7-2-3-8-12(7)18-19-13(8)15(21)22/h1,4-5H,2-3H2,(H,17,20)(H,18,19)(H,21,22)/b11-7-
InChIKeySIMGVNAEFLFMJB-XFFZJAGNSA-N
XLogP2.06
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
CID 82082334
(3E)-3-(4-bromo-5,5-dimethylfuran-2-ylidene)-5-fluoro-1H-indol-2-one
CID 58926327
1-[5-[5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 69449965
2-[4-[5-[5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid
CID 69446416
5-fluoro-3-(3H-furo[3,4-c]pyridin-1-ylidene)-1H-indol-2-one
CID 76798885
(1E)-1-(6-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-carboxylic acid
CID 58586290
4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 13303408
2-cyano-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetic acid
CID 57367546
N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride
CID 77141485
methyl 2-[[5-[(5E)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]amino]acetate
CID 58926301
(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid
CID 59376056
4-[5-[(5E)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]-3-(hydroxymethyl)piperazine-1-carboxylic acid
CID 129244823

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid?
The IUPAC name of (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid (CID 170733168) is (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid.
What is the SMILES notation for (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid?
The canonical SMILES for (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid is O=C1Nc2ccc(F)cc2/C1=C1\CCc2c1n[nH]c2C(=O)O.
What is the InChIKey of (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid?
The InChIKey is SIMGVNAEFLFMJB-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-6-1-4-10-9(5-6)11(14(20)17-10)7-2-3-8-12(7)18-19-13(8)15(21)22/h1,4-5H,2-3H2,(H,17,20)(H,18,19)(H,21,22)/b11-7-.
What are the key properties of (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid?
(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 170733168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).