N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide

C23H23N3O2 — CID 136625072

IUPACN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2
InChIInChI=1S/C23H23N3O2/c1-14(2)10-21(28)26-23-20(11-15-6-4-3-5-7-15)24-22-18-9-8-17(27)12-16(18)13-19(22)25-23/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,25,26,28)
InChIKeyZRFILIITQZAGTM-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.33
Rot. Bonds5

About N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide

N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide (PubChem CID 136625072) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide
PubChem CID136625072
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2
InChIInChI=1S/C23H23N3O2/c1-14(2)10-21(28)26-23-20(11-15-6-4-3-5-7-15)24-22-18-9-8-17(27)12-16(18)13-19(22)25-23/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,25,26,28)
InChIKeyZRFILIITQZAGTM-UHFFFAOYSA-N
XLogP4.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide
CID 136625019
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide
CID 140639333
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 140639402
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide
CID 136625070
3-benzyl-2-[(1-hydroxy-3-phenylpropyl)amino]-9H-indeno[1,2-b]pyrazin-7-ol
CID 163734730
N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide
CID 137158320
N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 136625388
N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 140639327
N-[2-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 143000361
N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625036
N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 136625045
2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625384

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide?
The IUPAC name of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide (CID 136625072) is N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2.
What is the InChIKey of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide?
The InChIKey is ZRFILIITQZAGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14(2)10-21(28)26-23-20(11-15-6-4-3-5-7-15)24-22-18-9-8-17(27)12-16(18)13-19(22)25-23/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,25,26,28).
What are the key properties of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide?
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide has a molecular weight of 373.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide is sourced from PubChem (CID 136625072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).