4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C24H26N4O2 — CID 50825956

IUPAC4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4c(C)nn(C)c4C)cc3)ccc21
InChIInChI=1S/C24H26N4O2/c1-15-22(16(2)27(4)26-15)14-25-24(30)19-7-5-18(6-8-19)20-9-10-23-21(13-20)11-12-28(23)17(3)29/h5-10,13H,11-12,14H2,1-4H3,(H,25,30)
InChIKeyKHEUQQRPDUTVMV-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.54
Rot. Bonds4

About 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 50825956) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID50825956
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4c(C)nn(C)c4C)cc3)ccc21
InChIInChI=1S/C24H26N4O2/c1-15-22(16(2)27(4)26-15)14-25-24(30)19-7-5-18(6-8-19)20-9-10-23-21(13-20)11-12-28(23)17(3)29/h5-10,13H,11-12,14H2,1-4H3,(H,25,30)
InChIKeyKHEUQQRPDUTVMV-UHFFFAOYSA-N
XLogP3.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 50825956) is 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is CC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4c(C)nn(C)c4C)cc3)ccc21.
What is the InChIKey of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is KHEUQQRPDUTVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-22(16(2)27(4)26-15)14-25-24(30)19-7-5-18(6-8-19)20-9-10-23-21(13-20)11-12-28(23)17(3)29/h5-10,13H,11-12,14H2,1-4H3,(H,25,30).
What are the key properties of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 50825956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).