6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole

C41H44F2N4 — CID 158271220

About 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole

6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole (PubChem CID 158271220) has the molecular formula C41H44F2N4 and a molecular weight of 630.83 g/mol. Its IUPAC name is 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole.

Molecular Properties

• Compound Name: 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole
• PubChem CID: 158271220
• Molecular Formula: C41H44F2N4
• Molecular Weight: 630.83 g/mol
• Exact Mass: 630.35
• IUPAC Name: 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole
• SMILES: Cc1ccc2c(c1)C(F)(F)c1cc(C3=CN=C(C4CC5(CC5)CN4C)C3)ccc1-2.Cc1ccc2c(c1)CC([C@@H]1[C@H]3CC[C@H](C3)N1C)=N2
• InChI: InChI=1S/C25H24F2N2.C16H20N2/c1-15-3-5-18-19-6-4-16(10-21(19)25(26,27)20(18)9-15)17-11-22(28-13-17)23-12-24(7-8-24)14-29(23)2;1-10-3-6-14-12(7-10)9-15(17-14)16-11-4-5-13(8-11)18(16)2/h3-6,9-10,13,23H,7-8,11-12,14H2,1-2H3;3,6-7,11,13,16H,4-5,8-9H2,1-2H3/t;11-,13+,16-/m.0/s1
• InChIKey: GJBAPAFGDJRIGS-BLMTUPBXSA-N
• XLogP: 8.89
• TPSA: 31.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.83
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole?

The IUPAC name of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole (CID 158271220) is 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole.

What is the SMILES notation for 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole?

The canonical SMILES for 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole is Cc1ccc2c(c1)C(F)(F)c1cc(C3=CN=C(C4CC5(CC5)CN4C)C3)ccc1-2.Cc1ccc2c(c1)CC([C@@H]1[C@H]3CC[C@H](C3)N1C)=N2.

What is the InChIKey of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole?

The InChIKey is GJBAPAFGDJRIGS-BLMTUPBXSA-N. The full InChI is InChI=1S/C25H24F2N2.C16H20N2/c1-15-3-5-18-19-6-4-16(10-21(19)25(26,27)20(18)9-15)17-11-22(28-13-17)23-12-24(7-8-24)14-29(23)2;1-10-3-6-14-12(7-10)9-15(17-14)16-11-4-5-13(8-11)18(16)2/h3-6,9-10,13,23H,7-8,11-12,14H2,1-2H3;3,6-7,11,13,16H,4-5,8-9H2,1-2H3/t;11-,13+,16-/m.0/s1.

What are the key properties of 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole?

6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole has a molecular weight of 630.83 g/mol, XLogP of 8.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole is sourced from PubChem (CID 158271220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).