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

C26H27N3O2 — CID 136625070

IUPACN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2
InChIInChI=1S/C26H27N3O2/c30-20-11-12-21-19(15-20)16-22-25(21)27-23(13-17-7-3-1-4-8-17)26(28-22)29-24(31)14-18-9-5-2-6-10-18/h1,3-4,7-8,11-12,15,18,30H,2,5-6,9-10,13-14,16H2,(H,28,29,31)
InChIKeyOGCXLYBEHQTCTG-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.25
Rot. Bonds5

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

N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide (PubChem CID 136625070) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide
PubChem CID136625070
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2
InChIInChI=1S/C26H27N3O2/c30-20-11-12-21-19(15-20)16-22-25(21)27-23(13-17-7-3-1-4-8-17)26(28-22)29-24(31)14-18-9-5-2-6-10-18/h1,3-4,7-8,11-12,15,18,30H,2,5-6,9-10,13-14,16H2,(H,28,29,31)
InChIKeyOGCXLYBEHQTCTG-UHFFFAOYSA-N
XLogP5.25
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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)-3-methylbutanamide
CID 136625072
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 140639402
N-[3-benzyl-5-(3,4-dihydroxyphenyl)pyrazin-2-yl]-2-cyclohexylacetamide
CID 136625269
2-cyclohexyl-N-(8-hydroxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;N-(8-hydroxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide;N-(8-hydroxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide;N-(8-hydroxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide
CID 161480901
N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 136625388
2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 143000231
N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625036
N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
CID 136863038
N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 70830338
N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide
CID 137158320
N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide
CID 123426172

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide (CID 136625070) is N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2.
What is the InChIKey of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide?
The InChIKey is OGCXLYBEHQTCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-20-11-12-21-19(15-20)16-22-25(21)27-23(13-17-7-3-1-4-8-17)26(28-22)29-24(31)14-18-9-5-2-6-10-18/h1,3-4,7-8,11-12,15,18,30H,2,5-6,9-10,13-14,16H2,(H,28,29,31).
What are the key properties of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide?
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-cyclohexylacetamide has a molecular weight of 413.52 g/mol, XLogP of 5.25, 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)-2-cyclohexylacetamide is sourced from PubChem (CID 136625070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).