2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide

C24H26N4O — CID 135908497

IUPAC2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide
SMILESCC(C)CN(C)C(=O)c1ccc2cc(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1
InChIInChI=1S/C24H26N4O/c1-16(2)15-28(3)24(29)19-10-9-18-12-22(25-21(18)13-19)23-14-20(26-27-23)11-17-7-5-4-6-8-17/h4-10,12-14,16,25H,11,15H2,1-3H3,(H,26,27)
InChIKeyGMHOHSUOFMIZEG-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.88
Rot. Bonds6

About 2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide

2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide (PubChem CID 135908497) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide
PubChem CID135908497
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide
SMILESCC(C)CN(C)C(=O)c1ccc2cc(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1
InChIInChI=1S/C24H26N4O/c1-16(2)15-28(3)24(29)19-10-9-18-12-22(25-21(18)13-19)23-14-20(26-27-23)11-17-7-5-4-6-8-17/h4-10,12-14,16,25H,11,15H2,1-3H3,(H,26,27)
InChIKeyGMHOHSUOFMIZEG-UHFFFAOYSA-N
XLogP4.88
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide?
The IUPAC name of 2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide (CID 135908497) is 2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide.
What is the SMILES notation for 2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide?
The canonical SMILES for 2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide is CC(C)CN(C)C(=O)c1ccc2cc(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1.
What is the InChIKey of 2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide?
The InChIKey is GMHOHSUOFMIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16(2)15-28(3)24(29)19-10-9-18-12-22(25-21(18)13-19)23-14-20(26-27-23)11-17-7-5-4-6-8-17/h4-10,12-14,16,25H,11,15H2,1-3H3,(H,26,27).
What are the key properties of 2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide?
2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-N-(2-methylpropyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 135908497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).