[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone

C20H20N8O — CID 97276543

About [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone

[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone (PubChem CID 97276543) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
• PubChem CID: 97276543
• Molecular Formula: C20H20N8O
• Molecular Weight: 388.44 g/mol
• Exact Mass: 388.18
• IUPAC Name: [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
• SMILES: O=C(c1ccn2nnnc2c1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1
• InChI: InChI=1S/C20H20N8O/c29-20(16-5-10-28-18(12-16)23-24-25-28)27-9-1-2-17(14-27)19-22-8-11-26(19)13-15-3-6-21-7-4-15/h3-8,10-12,17H,1-2,9,13-14H2/t17-/m0/s1
• InChIKey: JQSQDNHWPKMJMX-KRWDZBQOSA-N
• XLogP: 1.78
• TPSA: 94.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.44
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?

The IUPAC name of [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone (CID 97276543) is [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone.

What is the SMILES notation for [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?

The canonical SMILES for [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone is O=C(c1ccn2nnnc2c1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1.

What is the InChIKey of [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?

The InChIKey is JQSQDNHWPKMJMX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N8O/c29-20(16-5-10-28-18(12-16)23-24-25-28)27-9-1-2-17(14-27)19-22-8-11-26(19)13-15-3-6-21-7-4-15/h3-8,10-12,17H,1-2,9,13-14H2/t17-/m0/s1.

What are the key properties of [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?

[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone has a molecular weight of 388.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone is sourced from PubChem (CID 97276543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).