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

C27H23N3O2 — CID 140639333

IUPACN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2
InChIInChI=1S/C27H23N3O2/c31-21-12-13-22-20(16-21)17-23-26(22)28-24(15-19-9-5-2-6-10-19)27(29-23)30-25(32)14-11-18-7-3-1-4-8-18/h1-10,12-13,16,31H,11,14-15,17H2,(H,29,30,32)
InChIKeyGTYNBILKWXKAOJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.92
Rot. Bonds6

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

N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide (PubChem CID 140639333) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide
PubChem CID140639333
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC NameN-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2
InChIInChI=1S/C27H23N3O2/c31-21-12-13-22-20(16-21)17-23-26(22)28-24(15-19-9-5-2-6-10-19)27(29-23)30-25(32)14-11-18-7-3-1-4-8-18/h1-10,12-13,16,31H,11,14-15,17H2,(H,29,30,32)
InChIKeyGTYNBILKWXKAOJ-UHFFFAOYSA-N
XLogP4.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide (CID 140639333) is N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1C2.
What is the InChIKey of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide?
The InChIKey is GTYNBILKWXKAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c31-21-12-13-22-20(16-21)17-23-26(22)28-24(15-19-9-5-2-6-10-19)27(29-23)30-25(32)14-11-18-7-3-1-4-8-18/h1-10,12-13,16,31H,11,14-15,17H2,(H,29,30,32).
What are the key properties of N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide?
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide has a molecular weight of 421.50 g/mol, XLogP of 4.92, 6 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-phenylpropanamide is sourced from PubChem (CID 140639333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).