N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide

C26H26N4O3 — CID 142502504

IUPACN-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
SMILESCc1cc(CN2C(=O)C(C)(C)c3ccc(C(=O)NCc4cc5ccccc5o4)cc32)n(C)n1
InChIInChI=1S/C26H26N4O3/c1-16-11-19(29(4)28-16)15-30-22-13-18(9-10-21(22)26(2,3)25(30)32)24(31)27-14-20-12-17-7-5-6-8-23(17)33-20/h5-13H,14-15H2,1-4H3,(H,27,31)
InChIKeyJNSUNUSDVMXKSO-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.23
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide

N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide (PubChem CID 142502504) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
PubChem CID142502504
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
SMILESCc1cc(CN2C(=O)C(C)(C)c3ccc(C(=O)NCc4cc5ccccc5o4)cc32)n(C)n1
InChIInChI=1S/C26H26N4O3/c1-16-11-19(29(4)28-16)15-30-22-13-18(9-10-21(22)26(2,3)25(30)32)24(31)27-14-20-12-17-7-5-6-8-23(17)33-20/h5-13H,14-15H2,1-4H3,(H,27,31)
InChIKeyJNSUNUSDVMXKSO-UHFFFAOYSA-N
XLogP4.23
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide (CID 142502504) is N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide is Cc1cc(CN2C(=O)C(C)(C)c3ccc(C(=O)NCc4cc5ccccc5o4)cc32)n(C)n1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The InChIKey is JNSUNUSDVMXKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-16-11-19(29(4)28-16)15-30-22-13-18(9-10-21(22)26(2,3)25(30)32)24(31)27-14-20-12-17-7-5-6-8-23(17)33-20/h5-13H,14-15H2,1-4H3,(H,27,31).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide is sourced from PubChem (CID 142502504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).