(2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide

C27H30N8O3 — CID 146171856

IUPAC(2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide
SMILESC[C@](C(=O)NCCC1CCC(O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21
InChIInChI=1S/C27H30N8O3/c1-27(18-6-3-2-4-7-18,25(37)29-14-13-17-9-11-19(36)12-10-17)35-24-20(16-30-35)23-31-22(21-8-5-15-38-21)33-34(23)26(28)32-24/h2-8,15-17,19,36H,9-14H2,1H3,(H2,28,32)(H,29,37)/t17?,19?,27-/m1/s1
InChIKeySOUQVEKGQYZLGU-YFZWNRBJSA-N
MW514.59 g/mol
LogP3.14
Rot. Bonds7

About (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide

(2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide (PubChem CID 146171856) has the molecular formula C27H30N8O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide
PubChem CID146171856
Molecular FormulaC27H30N8O3
Molecular Weight514.59 g/mol
Exact Mass514.24
IUPAC Name(2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide
SMILESC[C@](C(=O)NCCC1CCC(O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21
InChIInChI=1S/C27H30N8O3/c1-27(18-6-3-2-4-7-18,25(37)29-14-13-17-9-11-19(36)12-10-17)35-24-20(16-30-35)23-31-22(21-8-5-15-38-21)33-34(23)26(28)32-24/h2-8,15-17,19,36H,9-14H2,1H3,(H2,28,32)(H,29,37)/t17?,19?,27-/m1/s1
InChIKeySOUQVEKGQYZLGU-YFZWNRBJSA-N
XLogP3.14
TPSA149.39 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide?
The IUPAC name of (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide (CID 146171856) is (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide is C[C@](C(=O)NCCC1CCC(O)CC1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.
What is the InChIKey of (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide?
The InChIKey is SOUQVEKGQYZLGU-YFZWNRBJSA-N. The full InChI is InChI=1S/C27H30N8O3/c1-27(18-6-3-2-4-7-18,25(37)29-14-13-17-9-11-19(36)12-10-17)35-24-20(16-30-35)23-31-22(21-8-5-15-38-21)33-34(23)26(28)32-24/h2-8,15-17,19,36H,9-14H2,1H3,(H2,28,32)(H,29,37)/t17?,19?,27-/m1/s1.
What are the key properties of (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide?
(2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide has a molecular weight of 514.59 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-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-[2-(4-hydroxycyclohexyl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 146171856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).