N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide

C26H19F2N3O2 — CID 140639402

IUPACN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2
InChIInChI=1S/C26H19F2N3O2/c27-20-9-6-16(10-21(20)28)12-24(33)31-26-23(11-15-4-2-1-3-5-15)29-25-19-8-7-18(32)13-17(19)14-22(25)30-26/h1-10,13,32H,11-12,14H2,(H,30,31,33)
InChIKeyCMECBLLTQLXWJK-UHFFFAOYSA-N
MW443.45 g/mol
LogP4.80
Rot. Bonds5

About N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide

N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 140639402) has the molecular formula C26H19F2N3O2 and a molecular weight of 443.45 g/mol. Its IUPAC name is N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide
PubChem CID140639402
Molecular FormulaC26H19F2N3O2
Molecular Weight443.45 g/mol
Exact Mass443.14
IUPAC NameN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2
InChIInChI=1S/C26H19F2N3O2/c27-20-9-6-16(10-21(20)28)12-24(33)31-26-23(11-15-4-2-1-3-5-15)29-25-19-8-7-18(32)13-17(19)14-22(25)30-26/h1-10,13,32H,11-12,14H2,(H,30,31,33)
InChIKeyCMECBLLTQLXWJK-UHFFFAOYSA-N
XLogP4.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.80
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-cyclohexylacetamide
CID 136625070
2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625385
N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide
CID 123426172
3-benzyl-2-[(1-hydroxy-3-phenylpropyl)amino]-9H-indeno[1,2-b]pyrazin-7-ol
CID 163734730
N-(2-benzyl-8,10-dihydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
CID 136863038
N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide
CID 136625034
2-(3,4-difluorophenyl)-N-[2-[(Z,2E)-2-ethylidene-1-hydroxypent-3-enyl]-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 143000225
2-(4-bromophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;2-(4-chlorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide;2-(4-fluorophenyl)-N-[8-fluoro-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 158841528
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)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide (CID 140639402) is N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2.
What is the InChIKey of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is CMECBLLTQLXWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O2/c27-20-9-6-16(10-21(20)28)12-24(33)31-26-23(11-15-4-2-1-3-5-15)29-25-19-8-7-18(32)13-17(19)14-22(25)30-26/h1-10,13,32H,11-12,14H2,(H,30,31,33).
What are the key properties of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide?
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 443.45 g/mol, XLogP of 4.80, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 140639402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).