(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone

C23H25FN4O — CID 92615597

About (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 92615597) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 92615597
• Molecular Formula: C23H25FN4O
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.20
• IUPAC Name: (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: Cc1nn(C)cc1C(=O)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1
• InChI: InChI=1S/C23H25FN4O/c1-16-21(15-27(2)26-16)23(29)28-10-4-6-19(14-28)22-9-8-18(13-25-22)11-17-5-3-7-20(24)12-17/h3,5,7-9,12-13,15,19H,4,6,10-11,14H2,1-2H3/t19-/m0/s1
• InChIKey: ACOGJXDGJJOUFP-IBGZPJMESA-N
• XLogP: 3.87
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 92615597) is (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is Cc1nn(C)cc1C(=O)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1.

What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is ACOGJXDGJJOUFP-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25FN4O/c1-16-21(15-27(2)26-16)23(29)28-10-4-6-19(14-28)22-9-8-18(13-25-22)11-17-5-3-7-20(24)12-17/h3,5,7-9,12-13,15,19H,4,6,10-11,14H2,1-2H3/t19-/m0/s1.

What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?

(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 392.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 92615597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).