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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide

C26H28N8O4 — CID 155757739

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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C(C)(C(=O)NC1CCC(O)CC1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21
InChIInChI=1S/C26H28N8O4/c1-26(18-6-3-4-7-19(18)37-2,24(36)29-15-9-11-16(35)12-10-15)34-23-17(14-28-34)22-30-21(20-8-5-13-38-20)32-33(22)25(27)31-23/h3-8,13-16,35H,9-12H2,1-2H3,(H2,27,31)(H,29,36)
InChIKeyYRIDTPHUFLUDCO-UHFFFAOYSA-N
MW516.56 g/mol
LogP2.51
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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide

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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide (PubChem CID 155757739) has the molecular formula C26H28N8O4 and a molecular weight of 516.56 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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide.

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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide
PubChem CID155757739
Molecular FormulaC26H28N8O4
Molecular Weight516.56 g/mol
Exact Mass516.22
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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C(C)(C(=O)NC1CCC(O)CC1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21
InChIInChI=1S/C26H28N8O4/c1-26(18-6-3-4-7-19(18)37-2,24(36)29-15-9-11-16(35)12-10-15)34-23-17(14-28-34)22-30-21(20-8-5-13-38-20)32-33(22)25(27)31-23/h3-8,13-16,35H,9-12H2,1-2H3,(H2,27,31)(H,29,36)
InChIKeyYRIDTPHUFLUDCO-UHFFFAOYSA-N
XLogP2.51
TPSA158.62 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide 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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide?
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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide (CID 155757739) 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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide.
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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide?
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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide is COc1ccccc1C(C)(C(=O)NC1CCC(O)CC1)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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide?
The InChIKey is YRIDTPHUFLUDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O4/c1-26(18-6-3-4-7-19(18)37-2,24(36)29-15-9-11-16(35)12-10-15)34-23-17(14-28-34)22-30-21(20-8-5-13-38-20)32-33(22)25(27)31-23/h3-8,13-16,35H,9-12H2,1-2H3,(H2,27,31)(H,29,36).
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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide?
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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide has a molecular weight of 516.56 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 11 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-(4-hydroxycyclohexyl)-2-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 155757739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).