[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone

C29H31N5O2 — CID 42380505

About [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone

[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone (PubChem CID 42380505) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

• Compound Name: [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
• PubChem CID: 42380505
• Molecular Formula: C29H31N5O2
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.25
• IUPAC Name: [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
• SMILES: Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)c3cc(CC(C)C)on3)CC2)c1
• InChI: InChI=1S/C29H31N5O2/c1-19(2)15-24-17-26(33-36-24)29(35)34-13-9-21(10-14-34)27-25(23-6-4-5-20(3)16-23)18-31-28(32-27)22-7-11-30-12-8-22/h4-8,11-12,16-19,21H,9-10,13-15H2,1-3H3
• InChIKey: VDWJZIAPILARLP-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 85.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?

The IUPAC name of [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone (CID 42380505) is [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone.

What is the SMILES notation for [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?

The canonical SMILES for [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone is Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)c3cc(CC(C)C)on3)CC2)c1.

What is the InChIKey of [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?

The InChIKey is VDWJZIAPILARLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-19(2)15-24-17-26(33-36-24)29(35)34-13-9-21(10-14-34)27-25(23-6-4-5-20(3)16-23)18-31-28(32-27)22-7-11-30-12-8-22/h4-8,11-12,16-19,21H,9-10,13-15H2,1-3H3.

What are the key properties of [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?

[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 481.60 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 42380505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).