(3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone

C20H19F2N5O — CID 124967094

About (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone

(3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 124967094) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 124967094
• Molecular Formula: C20H19F2N5O
• Molecular Weight: 383.40 g/mol
• Exact Mass: 383.16
• IUPAC Name: (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cnc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)[nH]1
• InChI: InChI=1S/C20H19F2N5O/c1-12-10-25-19(26-12)18-17(23-4-5-24-18)13-3-2-6-27(11-13)20(28)14-7-15(21)9-16(22)8-14/h4-5,7-10,13H,2-3,6,11H2,1H3,(H,25,26)/t13-/m1/s1
• InChIKey: IQKPZHDWYHTWCO-CYBMUJFWSA-N
• XLogP: 3.47
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.40
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 124967094) is (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cnc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)[nH]1.

What is the InChIKey of (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is IQKPZHDWYHTWCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19F2N5O/c1-12-10-25-19(26-12)18-17(23-4-5-24-18)13-3-2-6-27(11-13)20(28)14-7-15(21)9-16(22)8-14/h4-5,7-10,13H,2-3,6,11H2,1H3,(H,25,26)/t13-/m1/s1.

What are the key properties of (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

(3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 383.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124967094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).