N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide

C25H26FN3O3 — CID 45175604

IUPACN-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
SMILESCc1cnc(C)c(-c2ccc(F)c3c2OC(CNC(=O)c2ccc(OC(C)C)cc2)C3)n1
InChIInChI=1S/C25H26FN3O3/c1-14(2)31-18-7-5-17(6-8-18)25(30)28-13-19-11-21-22(26)10-9-20(24(21)32-19)23-16(4)27-12-15(3)29-23/h5-10,12,14,19H,11,13H2,1-4H3,(H,28,30)
InChIKeyWSAOUTCKTPLENQ-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.42
Rot. Bonds6

About N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide

N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 45175604) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
PubChem CID45175604
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC NameN-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
SMILESCc1cnc(C)c(-c2ccc(F)c3c2OC(CNC(=O)c2ccc(OC(C)C)cc2)C3)n1
InChIInChI=1S/C25H26FN3O3/c1-14(2)31-18-7-5-17(6-8-18)25(30)28-13-19-11-21-22(26)10-9-20(24(21)32-19)23-16(4)27-12-15(3)29-23/h5-10,12,14,19H,11,13H2,1-4H3,(H,28,30)
InChIKeyWSAOUTCKTPLENQ-UHFFFAOYSA-N
XLogP4.42
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide 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-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-2-carboxamide
CID 42398609
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]-2,5-dimethylpyrazole-3-carboxamide
CID 45181356
N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4-trimethoxybenzamide
CID 42163589
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-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 45171979
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 45169014
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 45186163
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
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 42171033
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-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1H-indole-6-carboxamide
CID 45167896

Frequently Asked Questions

What is the IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide (CID 45175604) is N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide is Cc1cnc(C)c(-c2ccc(F)c3c2OC(CNC(=O)c2ccc(OC(C)C)cc2)C3)n1.
What is the InChIKey of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide?
The InChIKey is WSAOUTCKTPLENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-14(2)31-18-7-5-17(6-8-18)25(30)28-13-19-11-21-22(26)10-9-20(24(21)32-19)23-16(4)27-12-15(3)29-23/h5-10,12,14,19H,11,13H2,1-4H3,(H,28,30).
What are the key properties of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide?
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 435.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 45175604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).