[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

C27H28N6O2 — CID 110091053

About [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 110091053) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 110091053
• Molecular Formula: C27H28N6O2
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.23
• IUPAC Name: [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccc(-n4nc(C)cc4C)nc3)CC2)c1
• InChI: InChI=1S/C27H28N6O2/c1-18-5-4-6-23(15-18)35-26-25(28-11-12-29-26)21-9-13-32(14-10-21)27(34)22-7-8-24(30-17-22)33-20(3)16-19(2)31-33/h4-8,11-12,15-17,21H,9-10,13-14H2,1-3H3
• InChIKey: SZBNSNLHCKZMFP-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 110091053) is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccc(-n4nc(C)cc4C)nc3)CC2)c1.

What is the InChIKey of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is SZBNSNLHCKZMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-18-5-4-6-23(15-18)35-26-25(28-11-12-29-26)21-9-13-32(14-10-21)27(34)22-7-8-24(30-17-22)33-20(3)16-19(2)31-33/h4-8,11-12,15-17,21H,9-10,13-14H2,1-3H3.

What are the key properties of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 468.56 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110091053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).