(13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione

C30H35FN8O5 — CID 131891536

About (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione

(13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione (PubChem CID 131891536) has the molecular formula C30H35FN8O5 and a molecular weight of 606.66 g/mol. Its IUPAC name is (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione.

Molecular Properties

• Compound Name: (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione
• PubChem CID: 131891536
• Molecular Formula: C30H35FN8O5
• Molecular Weight: 606.66 g/mol
• Exact Mass: 606.27
• IUPAC Name: (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione
• SMILES: CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc(Cn3ccnc3)o2)CCNC1=O
• InChI: InChI=1S/C30H35FN8O5/c1-20(2)15-25-29(41)33-9-12-38(30(42)27-6-4-23(44-27)18-37-11-8-32-19-37)10-7-22-17-39(36-35-22)13-14-43-26-5-3-21(31)16-24(26)28(40)34-25/h3-6,8,11,16-17,19-20,25H,7,9-10,12-15,18H2,1-2H3,(H,33,41)(H,34,40)/t25-/m1/s1
• InChIKey: VCTUMBJEGZREAA-RUZDIDTESA-N
• XLogP: 2.29
• TPSA: 149.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.66
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione?

The IUPAC name of (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione (CID 131891536) is (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione.

What is the SMILES notation for (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione?

The canonical SMILES for (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione is CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc(Cn3ccnc3)o2)CCNC1=O.

What is the InChIKey of (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione?

The InChIKey is VCTUMBJEGZREAA-RUZDIDTESA-N. The full InChI is InChI=1S/C30H35FN8O5/c1-20(2)15-25-29(41)33-9-12-38(30(42)27-6-4-23(44-27)18-37-11-8-32-19-37)10-7-22-17-39(36-35-22)13-14-43-26-5-3-21(31)16-24(26)28(40)34-25/h3-6,8,11,16-17,19-20,25H,7,9-10,12-15,18H2,1-2H3,(H,33,41)(H,34,40)/t25-/m1/s1.

What are the key properties of (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione?

(13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione has a molecular weight of 606.66 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (13R)-8-fluoro-18-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-13-(2-methylpropyl)-4-oxa-1,12,15,18,22,23-hexazatricyclo[19.2.1.05,10]tetracosa-5(10),6,8,21(24),22-pentaene-11,14-dione is sourced from PubChem (CID 131891536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).