(1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C20H23N5O — CID 97150810

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

(1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97150810) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97150810
• Molecular Formula: C20H23N5O
• Molecular Weight: 349.44 g/mol
• Exact Mass: 349.19
• IUPAC Name: (1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: Cn1cccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1
• InChI: InChI=1S/C20H23N5O/c1-23-11-5-8-18(23)20(26)25-12-4-6-16(14-25)19-22-10-13-24(19)15-17-7-2-3-9-21-17/h2-3,5,7-11,13,16H,4,6,12,14-15H2,1H3/t16-/m1/s1
• InChIKey: YKEJKQTYDMYGOK-MRXNPFEDSA-N
• XLogP: 2.68
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.44
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97150810) is (1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cn1cccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1.

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

The InChIKey is YKEJKQTYDMYGOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-11-5-8-18(23)20(26)25-12-4-6-16(14-25)19-22-10-13-24(19)15-17-7-2-3-9-21-17/h2-3,5,7-11,13,16H,4,6,12,14-15H2,1H3/t16-/m1/s1.

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

(1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97150810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).