2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde

C17H10FN3O2 — CID 86762007

IUPAC2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde
SMILESO=Cc1cc2c(=O)n(-c3ccccc3F)nc-2n2ccccc12
InChIInChI=1S/C17H10FN3O2/c18-13-5-1-2-7-15(13)21-17(23)12-9-11(10-22)14-6-3-4-8-20(14)16(12)19-21/h1-10H
InChIKeyKSAIELVJXJGDAJ-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.54
Rot. Bonds2

About 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde

2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde (PubChem CID 86762007) has the molecular formula C17H10FN3O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde
PubChem CID86762007
Molecular FormulaC17H10FN3O2
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC Name2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde
SMILESO=Cc1cc2c(=O)n(-c3ccccc3F)nc-2n2ccccc12
InChIInChI=1S/C17H10FN3O2/c18-13-5-1-2-7-15(13)21-17(23)12-9-11(10-22)14-6-3-4-8-20(14)16(12)19-21/h1-10H
InChIKeyKSAIELVJXJGDAJ-UHFFFAOYSA-N
XLogP2.54
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3H-Pyrazolo[3,4-b]pyridin-3-one, 2,7-dihydro-4,6-dimethyl-2,7-diphenyl-
CID 2824852
5-[(4,4-Difluoropiperidin-1-yl)methyl]-2-(2-fluorophenyl)pyrazolo[4,3-c]quinolizin-3-one
CID 54589177
4-Fluoro-1-[[2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizin-5-yl]methyl]piperidine-4-carbonitrile
CID 54589212
2-(2-Fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbonitrile
CID 87411155
2,7-diphenyl-2,7-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 23800244
4-methyl-2,7-diphenyl-5H-pyrazolo[3,4-b]pyridine-3,6-dione
CID 15019902
4-Methyl-5-methylidene-2,7-diphenylpyrazolo[3,4-b]pyridine-3,6-dione
CID 23558242
N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide
CID 57079552
(5E)-5-ethylidene-4,7-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-3,6-dione
CID 71081204
2-Phenyl-5-(piperidin-1-ylmethyl)pyrazolo[4,3-c]quinolizin-3-one
CID 71260643
5-[(4-Methylpiperazin-1-yl)methyl]-2-phenylpyrazolo[4,3-c]quinolizin-3-one
CID 71260645
N-[(5E)-5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide
CID 88480110

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde?
The IUPAC name of 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde (CID 86762007) is 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde.
What is the SMILES notation for 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde?
The canonical SMILES for 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde is O=Cc1cc2c(=O)n(-c3ccccc3F)nc-2n2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde?
The InChIKey is KSAIELVJXJGDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2/c18-13-5-1-2-7-15(13)21-17(23)12-9-11(10-22)14-6-3-4-8-20(14)16(12)19-21/h1-10H.
What are the key properties of 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde?
2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde has a molecular weight of 307.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-oxopyrazolo[4,3-c]quinolizine-5-carbaldehyde is sourced from PubChem (CID 86762007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).