[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

C27H28N6O3 — CID 110091051

About [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 110091051) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 110091051
• Molecular Formula: C27H28N6O3
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.22
• IUPAC Name: [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: COc1cccc(Oc2cncc(C3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1
• InChI: InChI=1S/C27H28N6O3/c1-18-12-19(2)33(31-18)25-10-9-20(14-29-25)27(34)32-11-5-6-21(17-32)24-15-28-16-26(30-24)36-23-8-4-7-22(13-23)35-3/h4,7-10,12-16,21H,5-6,11,17H2,1-3H3
• InChIKey: DCIBSIXOTSHHNE-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 95.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 110091051) is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is COc1cccc(Oc2cncc(C3CCCN(C(=O)c4ccc(-n5nc(C)cc5C)nc4)C3)n2)c1.

What is the InChIKey of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is DCIBSIXOTSHHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-18-12-19(2)33(31-18)25-10-9-20(14-29-25)27(34)32-11-5-6-21(17-32)24-15-28-16-26(30-24)36-23-8-4-7-22(13-23)35-3/h4,7-10,12-16,21H,5-6,11,17H2,1-3H3.

What are the key properties of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 484.56 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110091051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).