1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one

C22H19FN4O2 — CID 56910859

IUPAC1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H19FN4O2/c23-15-5-3-4-14(12-15)19-16(13-24-26-19)20(28)27-10-8-22(9-11-27)17-6-1-2-7-18(17)25-21(22)29/h1-7,12-13H,8-11H2,(H,24,26)(H,25,29)
InChIKeyWSFZKVRHHUBIME-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.34
Rot. Bonds2

About 1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 56910859) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID56910859
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H19FN4O2/c23-15-5-3-4-14(12-15)19-16(13-24-26-19)20(28)27-10-8-22(9-11-27)17-6-1-2-7-18(17)25-21(22)29/h1-7,12-13H,8-11H2,(H,24,26)(H,25,29)
InChIKeyWSFZKVRHHUBIME-UHFFFAOYSA-N
XLogP3.34
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 56910859) is 1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one is O=C(c1cn[nH]c1-c1cccc(F)c1)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is WSFZKVRHHUBIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-15-5-3-4-14(12-15)19-16(13-24-26-19)20(28)27-10-8-22(9-11-27)17-6-1-2-7-18(17)25-21(22)29/h1-7,12-13H,8-11H2,(H,24,26)(H,25,29).
What are the key properties of 1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 390.42 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56910859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).