N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide

C26H24N4O — CID 72700052

IUPACN-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
SMILESCN(C(=O)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1)c1ccccc1
InChIInChI=1S/C26H24N4O/c1-29(24-5-3-2-4-6-24)26(31)20-9-7-19(8-10-20)18-30-14-13-22-15-21(11-12-25(22)30)23-16-27-28-17-23/h2-12,15-17H,13-14,18H2,1H3,(H,27,28)
InChIKeyBQPFFZBSQCTLMD-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.92
Rot. Bonds5

About N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide

N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide (PubChem CID 72700052) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
PubChem CID72700052
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC NameN-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
SMILESCN(C(=O)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1)c1ccccc1
InChIInChI=1S/C26H24N4O/c1-29(24-5-3-2-4-6-24)26(31)20-9-7-19(8-10-20)18-30-14-13-22-15-21(11-12-25(22)30)23-16-27-28-17-23/h2-12,15-17H,13-14,18H2,1H3,(H,27,28)
InChIKeyBQPFFZBSQCTLMD-UHFFFAOYSA-N
XLogP4.92
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The IUPAC name of N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide (CID 72700052) is N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The canonical SMILES for N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide is CN(C(=O)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The InChIKey is BQPFFZBSQCTLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-29(24-5-3-2-4-6-24)26(31)20-9-7-19(8-10-20)18-30-14-13-22-15-21(11-12-25(22)30)23-16-27-28-17-23/h2-12,15-17H,13-14,18H2,1H3,(H,27,28).
What are the key properties of N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide has a molecular weight of 408.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide is sourced from PubChem (CID 72700052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).