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-[(3R)-oxan-3-yl]-2-phenylpropanamide

C24H24N8O3 — CID 155757753

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-[(3R)-oxan-3-yl]-2-phenylpropanamide
SMILESCC(C(=O)N[C@@H]1CCCOC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21
InChIInChI=1S/C24H24N8O3/c1-24(15-7-3-2-4-8-15,22(33)27-16-9-5-11-34-14-16)32-21-17(13-26-32)20-28-19(18-10-6-12-35-18)30-31(20)23(25)29-21/h2-4,6-8,10,12-13,16H,5,9,11,14H2,1H3,(H2,25,29)(H,27,33)/t16-,24?/m1/s1
InChIKeyCUDKDDOBNUDXCX-YAOANENCSA-N
MW472.51 g/mol
LogP2.37
Rot. Bonds5

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-[(3R)-oxan-3-yl]-2-phenylpropanamide

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-[(3R)-oxan-3-yl]-2-phenylpropanamide (PubChem CID 155757753) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 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-[(3R)-oxan-3-yl]-2-phenylpropanamide.

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-[(3R)-oxan-3-yl]-2-phenylpropanamide
PubChem CID155757753
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
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-[(3R)-oxan-3-yl]-2-phenylpropanamide
SMILESCC(C(=O)N[C@@H]1CCCOC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21
InChIInChI=1S/C24H24N8O3/c1-24(15-7-3-2-4-8-15,22(33)27-16-9-5-11-34-14-16)32-21-17(13-26-32)20-28-19(18-10-6-12-35-18)30-31(20)23(25)29-21/h2-4,6-8,10,12-13,16H,5,9,11,14H2,1H3,(H2,25,29)(H,27,33)/t16-,24?/m1/s1
InChIKeyCUDKDDOBNUDXCX-YAOANENCSA-N
XLogP2.37
TPSA138.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-[(3R)-oxan-3-yl]-2-phenylpropanamide 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-[(3R)-oxan-3-yl]-2-phenylpropanamide?
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-[(3R)-oxan-3-yl]-2-phenylpropanamide (CID 155757753) 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-[(3R)-oxan-3-yl]-2-phenylpropanamide.
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-[(3R)-oxan-3-yl]-2-phenylpropanamide?
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-[(3R)-oxan-3-yl]-2-phenylpropanamide is CC(C(=O)N[C@@H]1CCCOC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.
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-[(3R)-oxan-3-yl]-2-phenylpropanamide?
The InChIKey is CUDKDDOBNUDXCX-YAOANENCSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-24(15-7-3-2-4-8-15,22(33)27-16-9-5-11-34-14-16)32-21-17(13-26-32)20-28-19(18-10-6-12-35-18)30-31(20)23(25)29-21/h2-4,6-8,10,12-13,16H,5,9,11,14H2,1H3,(H2,25,29)(H,27,33)/t16-,24?/m1/s1.
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-[(3R)-oxan-3-yl]-2-phenylpropanamide?
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-[(3R)-oxan-3-yl]-2-phenylpropanamide has a molecular weight of 472.51 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 10 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-[(3R)-oxan-3-yl]-2-phenylpropanamide is sourced from PubChem (CID 155757753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).