[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone

C26H26N6O3 — CID 125008764

About [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone

[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone (PubChem CID 125008764) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
• PubChem CID: 125008764
• Molecular Formula: C26H26N6O3
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.21
• IUPAC Name: [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
• SMILES: COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccc(-c3cnn(C)c3)nc2)C1
• InChI: InChI=1S/C26H26N6O3/c1-31-16-20(15-30-31)21-10-9-18(14-29-21)26(33)32-13-5-6-19(17-32)24-25(28-12-11-27-24)35-23-8-4-3-7-22(23)34-2/h3-4,7-12,14-16,19H,5-6,13,17H2,1-2H3/t19-/m1/s1
• InChIKey: UXLLUCJSINNCHH-LJQANCHMSA-N
• XLogP: 4.09
• TPSA: 95.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone?

The IUPAC name of [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone (CID 125008764) is [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone.

What is the SMILES notation for [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone?

The canonical SMILES for [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone is COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccc(-c3cnn(C)c3)nc2)C1.

What is the InChIKey of [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone?

The InChIKey is UXLLUCJSINNCHH-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-31-16-20(15-30-31)21-10-9-18(14-29-21)26(33)32-13-5-6-19(17-32)24-25(28-12-11-27-24)35-23-8-4-3-7-22(23)34-2/h3-4,7-12,14-16,19H,5-6,13,17H2,1-2H3/t19-/m1/s1.

What are the key properties of [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone?

[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone has a molecular weight of 470.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 125008764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).