2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole

C27H35FN4 — CID 134330036

About 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole

2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole (PubChem CID 134330036) has the molecular formula C27H35FN4 and a molecular weight of 434.60 g/mol. Its IUPAC name is 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole.

Molecular Properties

• Compound Name: 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
• PubChem CID: 134330036
• Molecular Formula: C27H35FN4
• Molecular Weight: 434.60 g/mol
• Exact Mass: 434.28
• IUPAC Name: 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
• SMILES: CC(C)c1c(-c2ccnc(F)c2)[nH]c2ccc(C3CCN(C4CCN(C)CC4)CC3)cc12
• InChI: InChI=1S/C27H35FN4/c1-18(2)26-23-16-20(4-5-24(23)30-27(26)21-6-11-29-25(28)17-21)19-7-14-32(15-8-19)22-9-12-31(3)13-10-22/h4-6,11,16-19,22,30H,7-10,12-15H2,1-3H3
• InChIKey: USVWDJZKWLCKPU-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 35.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.60
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole?

The IUPAC name of 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole (CID 134330036) is 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole.

What is the SMILES notation for 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole?

The canonical SMILES for 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole is CC(C)c1c(-c2ccnc(F)c2)[nH]c2ccc(C3CCN(C4CCN(C)CC4)CC3)cc12.

What is the InChIKey of 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole?

The InChIKey is USVWDJZKWLCKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4/c1-18(2)26-23-16-20(4-5-24(23)30-27(26)21-6-11-29-25(28)17-21)19-7-14-32(15-8-19)22-9-12-31(3)13-10-22/h4-6,11,16-19,22,30H,7-10,12-15H2,1-3H3.

What are the key properties of 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole?

2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole has a molecular weight of 434.60 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134330036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).