1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide

C27H27FN4O3 — CID 142502609

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
SMILESCCn1nc(C)cc1CN1C(=O)C(C)(C)c2ccc(C(=O)NCc3cc4cc(F)ccc4o3)cc21
InChIInChI=1S/C27H27FN4O3/c1-5-32-20(10-16(2)30-32)15-31-23-13-17(6-8-22(23)27(3,4)26(31)34)25(33)29-14-21-12-18-11-19(28)7-9-24(18)35-21/h6-13H,5,14-15H2,1-4H3,(H,29,33)
InChIKeyVHPNLUGNRZFWIE-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.85
Rot. Bonds6

About 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide (PubChem CID 142502609) has the molecular formula C27H27FN4O3 and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
PubChem CID142502609
Molecular FormulaC27H27FN4O3
Molecular Weight474.54 g/mol
Exact Mass474.21
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
SMILESCCn1nc(C)cc1CN1C(=O)C(C)(C)c2ccc(C(=O)NCc3cc4cc(F)ccc4o3)cc21
InChIInChI=1S/C27H27FN4O3/c1-5-32-20(10-16(2)30-32)15-31-23-13-17(6-8-22(23)27(3,4)26(31)34)25(33)29-14-21-12-18-11-19(28)7-9-24(18)35-21/h6-13H,5,14-15H2,1-4H3,(H,29,33)
InChIKeyVHPNLUGNRZFWIE-UHFFFAOYSA-N
XLogP4.85
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzofuran-2-ylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 142502504
N-[(5-fluoro-1-benzofuran-2-yl)methyl]-1-[[4-fluoro-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592766
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methyl-2-oxo-3-prop-2-enyl-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502577
1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 142502558
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592698
1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502572
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-iodo-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 137367694
3,3-dimethyl-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592799
1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 170071729
1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 82685309
N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592747
N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide
CID 146592733

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide (CID 142502609) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide is CCn1nc(C)cc1CN1C(=O)C(C)(C)c2ccc(C(=O)NCc3cc4cc(F)ccc4o3)cc21.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The InChIKey is VHPNLUGNRZFWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3/c1-5-32-20(10-16(2)30-32)15-31-23-13-17(6-8-22(23)27(3,4)26(31)34)25(33)29-14-21-12-18-11-19(28)7-9-24(18)35-21/h6-13H,5,14-15H2,1-4H3,(H,29,33).
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide is sourced from PubChem (CID 142502609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).