(2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol

C24H24FN3O2 — CID 57238471

About (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol

(2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol (PubChem CID 57238471) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
• PubChem CID: 57238471
• Molecular Formula: C24H24FN3O2
• Molecular Weight: 405.47 g/mol
• Exact Mass: 405.19
• IUPAC Name: (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
• SMILES: O[C@H](COc1cccc2[nH]ccc12)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
• InChI: InChI=1S/C24H24FN3O2/c25-17-4-5-23-20(12-17)21(13-27-23)16-7-10-28(11-8-16)14-18(29)15-30-24-3-1-2-22-19(24)6-9-26-22/h1-7,9,12-13,18,26-27,29H,8,10-11,14-15H2/t18-/m0/s1
• InChIKey: AXNOHMGIJYRUGB-SFHVURJKSA-N
• XLogP: 4.32
• TPSA: 64.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.47
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?

The IUPAC name of (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol (CID 57238471) is (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol.

What is the SMILES notation for (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?

The canonical SMILES for (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol is O[C@H](COc1cccc2[nH]ccc12)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1.

What is the InChIKey of (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?

The InChIKey is AXNOHMGIJYRUGB-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-17-4-5-23-20(12-17)21(13-27-23)16-7-10-28(11-8-16)14-18(29)15-30-24-3-1-2-22-19(24)6-9-26-22/h1-7,9,12-13,18,26-27,29H,8,10-11,14-15H2/t18-/m0/s1.

What are the key properties of (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?

(2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol has a molecular weight of 405.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol is sourced from PubChem (CID 57238471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).