(4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone

C₁₉H₁₉FN₄O — CID 156811435

About (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone

(4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone (PubChem CID 156811435) has the molecular formula C₁₉H₁₉FN₄O and a molecular weight of 338.39 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone.

Molecular Properties

• Compound Name: (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone
• PubChem CID: 156811435
• Molecular Formula: C₁₉H₁₉FN₄O
• Molecular Weight: 338.39 g/mol
• Exact Mass: 338.15
• IUPAC Name: (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone
• SMILES: Cc1cn(-c2cncnc2)c2ccc(C(=O)N3CCC(F)CC3)cc12
• InChI: InChI=1S/C19H19FN4O/c1-13-11-24(16-9-21-12-22-10-16)18-3-2-14(8-17(13)18)19(25)23-6-4-15(20)5-7-23/h2-3,8-12,15H,4-7H2,1H3
• InChIKey: UDXSQIGDNLUROW-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.39
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?

The IUPAC name of (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone (CID 156811435) is (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone.

What is the SMILES notation for (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?

The canonical SMILES for (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone is Cc1cn(-c2cncnc2)c2ccc(C(=O)N3CCC(F)CC3)cc12.

What is the InChIKey of (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?

The InChIKey is UDXSQIGDNLUROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-11-24(16-9-21-12-22-10-16)18-3-2-14(8-17(13)18)19(25)23-6-4-15(20)5-7-23/h2-3,8-12,15H,4-7H2,1H3.

What are the key properties of (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?

(4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone has a molecular weight of 338.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone is sourced from PubChem (CID 156811435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156811435 — identifiers, structure, computed properties (public domain)

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