(2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide

C28H27N5O4 — CID 25472876

About (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide

(2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 25472876) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 25472876
• Molecular Formula: C28H27N5O4
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.21
• IUPAC Name: (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
• SMILES: COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(-n4cccn4)nc3)[C@@H]2c2ccccc2OC)cc1
• InChI: InChI=1S/C28H27N5O4/c1-36-21-11-9-20(10-12-21)33-26(34)15-13-23(27(33)22-6-3-4-7-24(22)37-2)28(35)31-19-8-14-25(29-18-19)32-17-5-16-30-32/h3-12,14,16-18,23,27H,13,15H2,1-2H3,(H,31,35)/t23-,27-/m0/s1
• InChIKey: UZVWEDJAOFFFGC-HOFKKMOUSA-N
• XLogP: 4.41
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?

The IUPAC name of (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide (CID 25472876) is (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide.

What is the SMILES notation for (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?

The canonical SMILES for (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide is COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(-n4cccn4)nc3)[C@@H]2c2ccccc2OC)cc1.

What is the InChIKey of (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?

The InChIKey is UZVWEDJAOFFFGC-HOFKKMOUSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-36-21-11-9-20(10-12-21)33-26(34)15-13-23(27(33)22-6-3-4-7-24(22)37-2)28(35)31-19-8-14-25(29-18-19)32-17-5-16-30-32/h3-12,14,16-18,23,27H,13,15H2,1-2H3,(H,31,35)/t23-,27-/m0/s1.

What are the key properties of (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?

(2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 25472876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).