(4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C26H29N5O2 — CID 92556400

About (4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone

(4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 92556400) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is (4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
• PubChem CID: 92556400
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: (4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)cc1
• InChI: InChI=1S/C26H29N5O2/c1-19-6-8-20(9-7-19)25(32)31-11-3-5-22(18-31)24-23(21-4-2-10-27-16-21)17-28-26(29-24)30-12-14-33-15-13-30/h2,4,6-10,16-17,22H,3,5,11-15,18H2,1H3/t22-/m0/s1
• InChIKey: LWUQEDQUPYMWRK-QFIPXVFZSA-N
• XLogP: 3.70
• TPSA: 71.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 92556400) is (4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for (4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)cc1.

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

The InChIKey is LWUQEDQUPYMWRK-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-19-6-8-20(9-7-19)25(32)31-11-3-5-22(18-31)24-23(21-4-2-10-27-16-21)17-28-26(29-24)30-12-14-33-15-13-30/h2,4,6-10,16-17,22H,3,5,11-15,18H2,1H3/t22-/m0/s1.

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

(4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 443.55 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92556400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).