9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene

C24H26FN3O — CID 90420806

About 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene

9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene (PubChem CID 90420806) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene.

Molecular Properties

• Compound Name: 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene
• PubChem CID: 90420806
• Molecular Formula: C24H26FN3O
• Molecular Weight: 391.49 g/mol
• Exact Mass: 391.21
• IUPAC Name: 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene
• SMILES: COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC4(CCNCC4)CC3)cc12
• InChI: InChI=1S/C24H26FN3O/c1-29-22-3-2-17(25)14-19(22)18-6-11-27-23-20(18)15-21(28-23)16-4-7-24(8-5-16)9-12-26-13-10-24/h2-4,6,11,14-15,26H,5,7-10,12-13H2,1H3,(H,27,28)
• InChIKey: CWAARJDFXAIYRN-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 49.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.49
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene?

The IUPAC name of 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene (CID 90420806) is 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene.

What is the SMILES notation for 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene?

The canonical SMILES for 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC4(CCNCC4)CC3)cc12.

What is the InChIKey of 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene?

The InChIKey is CWAARJDFXAIYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-29-22-3-2-17(25)14-19(22)18-6-11-27-23-20(18)15-21(28-23)16-4-7-24(8-5-16)9-12-26-13-10-24/h2-4,6,11,14-15,26H,5,7-10,12-13H2,1H3,(H,27,28).

What are the key properties of 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene?

9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene has a molecular weight of 391.49 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-azaspiro[5.5]undec-9-ene is sourced from PubChem (CID 90420806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).