2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C26H25N5O2 — CID 42397404

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1
InChIInChI=1S/C26H25N5O2/c1-17-23(18(2)31(30-17)20-8-4-3-5-9-20)14-25(32)29-15-21-13-19-7-6-10-22(26(19)33-21)24-16-27-11-12-28-24/h3-12,16,21H,13-15H2,1-2H3,(H,29,32)/t21-/m1/s1
InChIKeyWZCLLSOLVDHFIE-OAQYLSRUSA-N
MW439.52 g/mol
LogP3.61
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 42397404) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID42397404
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1
InChIInChI=1S/C26H25N5O2/c1-17-23(18(2)31(30-17)20-8-4-3-5-9-20)14-25(32)29-15-21-13-19-7-6-10-22(26(19)33-21)24-16-27-11-12-28-24/h3-12,16,21H,13-15H2,1-2H3,(H,29,32)/t21-/m1/s1
InChIKeyWZCLLSOLVDHFIE-OAQYLSRUSA-N
XLogP3.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42430877
1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide
CID 42376585
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45165725
N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 42190153
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 45186822
2-(1-oxo-4-phenylphthalazin-2-yl)-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45246052
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 45190536
3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide
CID 126462892
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 45166829
2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42171221
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126467404
2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45230284

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 42397404) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is WZCLLSOLVDHFIE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-23(18(2)31(30-17)20-8-4-3-5-9-20)14-25(32)29-15-21-13-19-7-6-10-22(26(19)33-21)24-16-27-11-12-28-24/h3-12,16,21H,13-15H2,1-2H3,(H,29,32)/t21-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 42397404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).