2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone

C22H17FN4O — CID 20936882

IUPAC2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2cccc(F)c2)c1-n1cccc1)N1CCc2ccccc21
InChIInChI=1S/C22H17FN4O/c23-17-7-5-8-18(14-17)27-21(25-11-3-4-12-25)19(15-24-27)22(28)26-13-10-16-6-1-2-9-20(16)26/h1-9,11-12,14-15H,10,13H2
InChIKeyKXPXZLWAOYWJGY-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.01
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone

2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (PubChem CID 20936882) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
PubChem CID20936882
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2cccc(F)c2)c1-n1cccc1)N1CCc2ccccc21
InChIInChI=1S/C22H17FN4O/c23-17-7-5-8-18(14-17)27-21(25-11-3-4-12-25)19(15-24-27)22(28)26-13-10-16-6-1-2-9-20(16)26/h1-9,11-12,14-15H,10,13H2
InChIKeyKXPXZLWAOYWJGY-UHFFFAOYSA-N
XLogP4.01
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (CID 20936882) is 2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is O=C(c1cnn(-c2cccc(F)c2)c1-n1cccc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The InChIKey is KXPXZLWAOYWJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-17-7-5-8-18(14-17)27-21(25-11-3-4-12-25)19(15-24-27)22(28)26-13-10-16-6-1-2-9-20(16)26/h1-9,11-12,14-15H,10,13H2.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone has a molecular weight of 372.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 20936882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).