(2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H23N5O2 — CID 97270135

About (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97270135) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97270135
• Molecular Formula: C21H23N5O2
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.19
• IUPAC Name: (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: COc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)ccn1
• InChI: InChI=1S/C21H23N5O2/c1-28-19-13-16(7-9-23-19)21(27)26-11-4-5-17(14-26)20-24-10-12-25(20)15-18-6-2-3-8-22-18/h2-3,6-10,12-13,17H,4-5,11,14-15H2,1H3/t17-/m1/s1
• InChIKey: UKQQUQWHQIRRMG-QGZVFWFLSA-N
• XLogP: 2.75
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97270135) is (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is COc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)ccn1.

What is the InChIKey of (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is UKQQUQWHQIRRMG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-19-13-16(7-9-23-19)21(27)26-11-4-5-17(14-26)20-24-10-12-25(20)15-18-6-2-3-8-22-18/h2-3,6-10,12-13,17H,4-5,11,14-15H2,1H3/t17-/m1/s1.

What are the key properties of (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 377.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97270135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).