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

C20H20FN5O — CID 97194429

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

(3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97194429) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97194429
• Molecular Formula: C20H20FN5O
• Molecular Weight: 365.41 g/mol
• Exact Mass: 365.17
• IUPAC Name: (3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccncc1F)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1
• InChI: InChI=1S/C20H20FN5O/c21-18-12-23-7-5-17(18)20(27)26-9-2-4-16(14-26)19-24-8-10-25(19)13-15-3-1-6-22-11-15/h1,3,5-8,10-12,16H,2,4,9,13-14H2/t16-/m1/s1
• InChIKey: WVZGBLHHJMPECI-MRXNPFEDSA-N
• XLogP: 2.88
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.41
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97194429) is (3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccncc1F)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1.

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

The InChIKey is WVZGBLHHJMPECI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-18-12-23-7-5-17(18)20(27)26-9-2-4-16(14-26)19-24-8-10-25(19)13-15-3-1-6-22-11-15/h1,3,5-8,10-12,16H,2,4,9,13-14H2/t16-/m1/s1.

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

(3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 365.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97194429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).