(3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol

C24H33N3O2 — CID 69418515

About (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol

(3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol (PubChem CID 69418515) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol.

Molecular Properties

• Compound Name: (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol
• PubChem CID: 69418515
• Molecular Formula: C24H33N3O2
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.26
• IUPAC Name: (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol
• SMILES: CCc1cc2c([C@@H](CC)CCO)cn(C)c2nc1-c1ccc(C(C)C)nc1OC
• InChI: InChI=1S/C24H33N3O2/c1-7-16(11-12-28)20-14-27(5)23-19(20)13-17(8-2)22(26-23)18-9-10-21(15(3)4)25-24(18)29-6/h9-10,13-16,28H,7-8,11-12H2,1-6H3/t16-/m0/s1
• InChIKey: MTTSGOFGLKJDOF-INIZCTEOSA-N
• XLogP: 5.21
• TPSA: 60.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol?

The IUPAC name of (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol (CID 69418515) is (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol.

What is the SMILES notation for (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol?

The canonical SMILES for (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol is CCc1cc2c([C@@H](CC)CCO)cn(C)c2nc1-c1ccc(C(C)C)nc1OC.

What is the InChIKey of (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol?

The InChIKey is MTTSGOFGLKJDOF-INIZCTEOSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-7-16(11-12-28)20-14-27(5)23-19(20)13-17(8-2)22(26-23)18-9-10-21(15(3)4)25-24(18)29-6/h9-10,13-16,28H,7-8,11-12H2,1-6H3/t16-/m0/s1.

What are the key properties of (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol?

(3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol has a molecular weight of 395.55 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[5-ethyl-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol is sourced from PubChem (CID 69418515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).