5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine

C23H30FN3O2 — CID 24788652

About 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine

5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine (PubChem CID 24788652) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine
• PubChem CID: 24788652
• Molecular Formula: C23H30FN3O2
• Molecular Weight: 399.51 g/mol
• Exact Mass: 399.23
• IUPAC Name: 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine
• SMILES: CCc1nc(OC(C)C)ccc1-c1nc2c(C)cn([C@H](CF)COC)c2cc1C
• InChI: InChI=1S/C23H30FN3O2/c1-7-19-18(8-9-21(25-19)29-14(2)3)22-15(4)10-20-23(26-22)16(5)12-27(20)17(11-24)13-28-6/h8-10,12,14,17H,7,11,13H2,1-6H3/t17-/m1/s1
• InChIKey: SXELHVVBWPEOMZ-QGZVFWFLSA-N
• XLogP: 5.22
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.51
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine?

The IUPAC name of 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine (CID 24788652) is 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine.

What is the SMILES notation for 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine?

The canonical SMILES for 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine is CCc1nc(OC(C)C)ccc1-c1nc2c(C)cn([C@H](CF)COC)c2cc1C.

What is the InChIKey of 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine?

The InChIKey is SXELHVVBWPEOMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-7-19-18(8-9-21(25-19)29-14(2)3)22-15(4)10-20-23(26-22)16(5)12-27(20)17(11-24)13-28-6/h8-10,12,14,17H,7,11,13H2,1-6H3/t17-/m1/s1.

What are the key properties of 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine?

5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine has a molecular weight of 399.51 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-ethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 24788652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).