N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide

C25H23FN4O2 — CID 42325093

IUPACN-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)Cc2c[nH]c4ccccc24)C3)n1
InChIInChI=1S/C25H23FN4O2/c1-14-11-27-15(2)24(30-14)19-7-8-21(26)20-10-17(32-25(19)20)13-29-23(31)9-16-12-28-22-6-4-3-5-18(16)22/h3-8,11-12,17,28H,9-10,13H2,1-2H3,(H,29,31)/t17-/m0/s1
InChIKeyISOHIZGVDZTVBT-KRWDZBQOSA-N
MW430.48 g/mol
LogP4.04
Rot. Bonds5

About N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide

N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 42325093) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide
PubChem CID42325093
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC NameN-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)Cc2c[nH]c4ccccc24)C3)n1
InChIInChI=1S/C25H23FN4O2/c1-14-11-27-15(2)24(30-14)19-7-8-21(26)20-10-17(32-25(19)20)13-29-23(31)9-16-12-28-22-6-4-3-5-18(16)22/h3-8,11-12,17,28H,9-10,13H2,1-2H3,(H,29,31)/t17-/m0/s1
InChIKeyISOHIZGVDZTVBT-KRWDZBQOSA-N
XLogP4.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide with MolForge

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Related Compounds

N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 126463492
N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dimethylbenzamide
CID 42340372
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
CID 45186965
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 45181356
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 45175604
N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 42189849
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 47026499
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 126465677
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 126463398

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide (CID 42325093) is N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide is Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)Cc2c[nH]c4ccccc24)C3)n1.
What is the InChIKey of N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is ISOHIZGVDZTVBT-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-14-11-27-15(2)24(30-14)19-7-8-21(26)20-10-17(32-25(19)20)13-29-23(31)9-16-12-28-22-6-4-3-5-18(16)22/h3-8,11-12,17,28H,9-10,13H2,1-2H3,(H,29,31)/t17-/m0/s1.
What are the key properties of N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide?
N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 430.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 42325093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).