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

C24H22N4O — CID 20936622

IUPAC2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESCc1cccc(-n2nc(C)c(C(=O)N3CCc4ccccc43)c2-n2cccc2)c1
InChIInChI=1S/C24H22N4O/c1-17-8-7-10-20(16-17)28-23(26-13-5-6-14-26)22(18(2)25-28)24(29)27-15-12-19-9-3-4-11-21(19)27/h3-11,13-14,16H,12,15H2,1-2H3
InChIKeyXYLFLGFBBOIOPQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.48
Rot. Bonds3

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

2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (PubChem CID 20936622) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
PubChem CID20936622
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESCc1cccc(-n2nc(C)c(C(=O)N3CCc4ccccc43)c2-n2cccc2)c1
InChIInChI=1S/C24H22N4O/c1-17-8-7-10-20(16-17)28-23(26-13-5-6-14-26)22(18(2)25-28)24(29)27-15-12-19-9-3-4-11-21(19)27/h3-11,13-14,16H,12,15H2,1-2H3
InChIKeyXYLFLGFBBOIOPQ-UHFFFAOYSA-N
XLogP4.48
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.48
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-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (CID 20936622) is 2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is Cc1cccc(-n2nc(C)c(C(=O)N3CCc4ccccc43)c2-n2cccc2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The InChIKey is XYLFLGFBBOIOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-8-7-10-20(16-17)28-23(26-13-5-6-14-26)22(18(2)25-28)24(29)27-15-12-19-9-3-4-11-21(19)27/h3-11,13-14,16H,12,15H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
2,3-dihydroindol-1-yl-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone has a molecular weight of 382.47 g/mol, XLogP of 4.48, 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-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 20936622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).