5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C56H65F4N19O4 — CID 159743149

About 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 159743149) has the molecular formula C56H65F4N19O4 and a molecular weight of 1144.26 g/mol. Its IUPAC name is 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

• Compound Name: 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
• PubChem CID: 159743149
• Molecular Formula: C56H65F4N19O4
• Molecular Weight: 1144.26 g/mol
• Exact Mass: 1143.54
• IUPAC Name: 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
• SMILES: C1CCCCC1.CCCn1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CNC(=O)c1cc(N2CCCCC2)c(F)cc1F.CNC(=O)c1cc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)cc1F
• InChI: InChI=1S/C24H24F2N10O2.C13H16F2N2O.C13H13N7O.C6H12/c1-28-23(37)14-11-18(17(26)12-16(14)25)34-7-4-33(5-8-34)6-9-35-21-15(13-29-35)22-30-20(19-3-2-10-38-19)32-36(22)24(27)31-21;1-16-13(18)9-7-12(11(15)8-10(9)14)17-5-3-2-4-6-17;1-2-5-19-11-8(7-15-19)12-16-10(9-4-3-6-21-9)18-20(12)13(14)17-11;1-2-4-6-5-3-1/h2-3,10-13H,4-9H2,1H3,(H2,27,31)(H,28,37);7-8H,2-6H2,1H3,(H,16,18);3-4,6-7H,2,5H2,1H3,(H2,14,17);1-6H2
• InChIKey: NCSBYPUGSWYUBA-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 268.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1144.26
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The IUPAC name of 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 159743149) is 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

What is the SMILES notation for 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The canonical SMILES for 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is C1CCCCC1.CCCn1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CNC(=O)c1cc(N2CCCCC2)c(F)cc1F.CNC(=O)c1cc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)cc1F.

What is the InChIKey of 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The InChIKey is NCSBYPUGSWYUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N10O2.C13H16F2N2O.C13H13N7O.C6H12/c1-28-23(37)14-11-18(17(26)12-16(14)25)34-7-4-33(5-8-34)6-9-35-21-15(13-29-35)22-30-20(19-3-2-10-38-19)32-36(22)24(27)31-21;1-16-13(18)9-7-12(11(15)8-10(9)14)17-5-3-2-4-6-17;1-2-5-19-11-8(7-15-19)12-16-10(9-4-3-6-21-9)18-20(12)13(14)17-11;1-2-4-6-5-3-1/h2-3,10-13H,4-9H2,1H3,(H2,27,31)(H,28,37);7-8H,2-6H2,1H3,(H,16,18);3-4,6-7H,2,5H2,1H3,(H2,14,17);1-6H2.

What are the key properties of 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 1144.26 g/mol, XLogP of 8.16, 11 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[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]ethyl]piperazin-1-yl]-2,4-difluoro-N-methylbenzamide;cyclohexane;2,4-difluoro-N-methyl-5-piperidin-1-ylbenzamide;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 159743149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).