5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C30H33ClF3N5O4 — CID 176974261

About 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 176974261) has the molecular formula C30H33ClF3N5O4 and a molecular weight of 620.07 g/mol. Its IUPAC name is 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

• Compound Name: 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• PubChem CID: 176974261
• Molecular Formula: C30H33ClF3N5O4
• Molecular Weight: 620.07 g/mol
• Exact Mass: 619.22
• IUPAC Name: 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• SMILES: CCO.COc1nc2c3c(nc(-c4cc(O)cc5ccc(F)c(Cl)c45)c(F)c3n1)OCCN2C.FC1CC2CCCN2C1
• InChI: InChI=1S/C21H15ClF2N4O3.C7H12FN.C2H6O/c1-28-5-6-31-20-14-18(26-21(30-2)27-19(14)28)16(24)17(25-20)11-8-10(29)7-9-3-4-12(23)15(22)13(9)11;8-6-4-7-2-1-3-9(7)5-6;1-2-3/h3-4,7-8,29H,5-6H2,1-2H3;6-7H,1-5H2;3H,2H2,1H3
• InChIKey: WKPIFNTXTCWTMG-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 104.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.07
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The IUPAC name of 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 176974261) is 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

What is the SMILES notation for 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The canonical SMILES for 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CCO.COc1nc2c3c(nc(-c4cc(O)cc5ccc(F)c(Cl)c45)c(F)c3n1)OCCN2C.FC1CC2CCCN2C1.

What is the InChIKey of 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The InChIKey is WKPIFNTXTCWTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N4O3.C7H12FN.C2H6O/c1-28-5-6-31-20-14-18(26-21(30-2)27-19(14)28)16(24)17(25-20)11-8-10(29)7-9-3-4-12(23)15(22)13(9)11;8-6-4-7-2-1-3-9(7)5-6;1-2-3/h3-4,7-8,29H,5-6H2,1-2H3;6-7H,1-5H2;3H,2H2,1H3.

What are the key properties of 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 620.07 g/mol, XLogP of 5.51, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-fluoro-4-(6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl)naphthalen-2-ol;ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 176974261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).