piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone

C22H25N5OS — CID 53187334

About piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone

piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone (PubChem CID 53187334) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

• Compound Name: piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
• PubChem CID: 53187334
• Molecular Formula: C22H25N5OS
• Molecular Weight: 407.54 g/mol
• Exact Mass: 407.18
• IUPAC Name: piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
• SMILES: O=C(C1CCN(c2nc3ccc(-c4cccnc4)nc3s2)CC1)N1CCCCC1
• InChI: InChI=1S/C22H25N5OS/c28-21(26-11-2-1-3-12-26)16-8-13-27(14-9-16)22-25-19-7-6-18(24-20(19)29-22)17-5-4-10-23-15-17/h4-7,10,15-16H,1-3,8-9,11-14H2
• InChIKey: PDLGLENBVYBASR-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 62.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.54
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?

The IUPAC name of piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone (CID 53187334) is piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone.

What is the SMILES notation for piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?

The canonical SMILES for piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2nc3ccc(-c4cccnc4)nc3s2)CC1)N1CCCCC1.

What is the InChIKey of piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?

The InChIKey is PDLGLENBVYBASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c28-21(26-11-2-1-3-12-26)16-8-13-27(14-9-16)22-25-19-7-6-18(24-20(19)29-22)17-5-4-10-23-15-17/h4-7,10,15-16H,1-3,8-9,11-14H2.

What are the key properties of piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?

piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone has a molecular weight of 407.54 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53187334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).