2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide

C25H20N8O2 — CID 146186247

IUPAC2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide
SMILESNc1nc2c(cnn2C(C(=O)NCc2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C25H20N8O2/c26-25-30-23-18(22-29-21(31-33(22)25)19-12-7-13-35-19)15-28-32(23)20(17-10-5-2-6-11-17)24(34)27-14-16-8-3-1-4-9-16/h1-13,15,20H,14H2,(H2,26,30)(H,27,34)
InChIKeyHHAPSKPCJCLLPK-UHFFFAOYSA-N
MW464.49 g/mol
LogP3.22
Rot. Bonds6

About 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide

2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide (PubChem CID 146186247) has the molecular formula C25H20N8O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide
PubChem CID146186247
Molecular FormulaC25H20N8O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide
SMILESNc1nc2c(cnn2C(C(=O)NCc2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C25H20N8O2/c26-25-30-23-18(22-29-21(31-33(22)25)19-12-7-13-35-19)15-28-32(23)20(17-10-5-2-6-11-17)24(34)27-14-16-8-3-1-4-9-16/h1-13,15,20H,14H2,(H2,26,30)(H,27,34)
InChIKeyHHAPSKPCJCLLPK-UHFFFAOYSA-N
XLogP3.22
TPSA129.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide?
The IUPAC name of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide (CID 146186247) is 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide.
What is the SMILES notation for 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide?
The canonical SMILES for 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide is Nc1nc2c(cnn2C(C(=O)NCc2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12.
What is the InChIKey of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide?
The InChIKey is HHAPSKPCJCLLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O2/c26-25-30-23-18(22-29-21(31-33(22)25)19-12-7-13-35-19)15-28-32(23)20(17-10-5-2-6-11-17)24(34)27-14-16-8-3-1-4-9-16/h1-13,15,20H,14H2,(H2,26,30)(H,27,34).
What are the key properties of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide?
2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide has a molecular weight of 464.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-benzyl-2-phenylacetamide is sourced from PubChem (CID 146186247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).