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

C23H19FN4O — CID 20915553

IUPAC2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H19FN4O/c1-16-21(23(29)27-15-12-17-6-2-3-7-20(17)27)22(26-13-4-5-14-26)28(25-16)19-10-8-18(24)9-11-19/h2-11,13-14H,12,15H2,1H3
InChIKeyJQOVTOXZFWDLDA-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.31
Rot. Bonds3

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

2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone (PubChem CID 20915553) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone
PubChem CID20915553
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H19FN4O/c1-16-21(23(29)27-15-12-17-6-2-3-7-20(17)27)22(26-13-4-5-14-26)28(25-16)19-10-8-18(24)9-11-19/h2-11,13-14H,12,15H2,1H3
InChIKeyJQOVTOXZFWDLDA-UHFFFAOYSA-N
XLogP4.31
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.31
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-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone (CID 20915553) is 2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone is Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The InChIKey is JQOVTOXZFWDLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-16-21(23(29)27-15-12-17-6-2-3-7-20(17)27)22(26-13-4-5-14-26)28(25-16)19-10-8-18(24)9-11-19/h2-11,13-14H,12,15H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone has a molecular weight of 386.43 g/mol, XLogP of 4.31, 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-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 20915553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).