(5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone

C₂₅H₂₈FN₅O₂ — CID 92639956

About (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone

(5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 92639956) has the molecular formula C₂₅H₂₈FN₅O₂ and a molecular weight of 449.53 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 92639956
• Molecular Formula: C₂₅H₂₈FN₅O₂
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.22
• IUPAC Name: (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1nc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)ncc1C(=O)N1CCCCC1
• InChI: InChI=1S/C25H28FN5O2/c1-16-19(24(32)30-10-4-2-5-11-30)15-27-23(28-16)22-7-3-6-12-31(22)25(33)21-14-17-13-18(26)8-9-20(17)29-21/h8-9,13-15,22,29H,2-7,10-12H2,1H3/t22-/m0/s1
• InChIKey: UDGUGKGOALXELK-QFIPXVFZSA-N
• XLogP: 4.40
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone (CID 92639956) is (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone is Cc1nc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)ncc1C(=O)N1CCCCC1.

What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone?

The InChIKey is UDGUGKGOALXELK-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-16-19(24(32)30-10-4-2-5-11-30)15-27-23(28-16)22-7-3-6-12-31(22)25(33)21-14-17-13-18(26)8-9-20(17)29-21/h8-9,13-15,22,29H,2-7,10-12H2,1H3/t22-/m0/s1.

What are the key properties of (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone?

(5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 449.53 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92639956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 92639956 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.