2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C20H22N6O2S — CID 175548651

About 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 175548651) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

• Compound Name: 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
• PubChem CID: 175548651
• Molecular Formula: C20H22N6O2S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.15
• IUPAC Name: 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
• SMILES: Cn1cc(N2CCc3nc(-c4ccc(N5CCCC(O)C5)nc4)sc3C2=O)cn1
• InChI: InChI=1S/C20H22N6O2S/c1-24-11-14(10-22-24)26-8-6-16-18(20(26)28)29-19(23-16)13-4-5-17(21-9-13)25-7-2-3-15(27)12-25/h4-5,9-11,15,27H,2-3,6-8,12H2,1H3
• InChIKey: YKFSYBVGOWIUNC-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?

The IUPAC name of 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 175548651) is 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

What is the SMILES notation for 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?

The canonical SMILES for 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is Cn1cc(N2CCc3nc(-c4ccc(N5CCCC(O)C5)nc4)sc3C2=O)cn1.

What is the InChIKey of 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?

The InChIKey is YKFSYBVGOWIUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-24-11-14(10-22-24)26-8-6-16-18(20(26)28)29-19(23-16)13-4-5-17(21-9-13)25-7-2-3-15(27)12-25/h4-5,9-11,15,27H,2-3,6-8,12H2,1H3.

What are the key properties of 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?

2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 410.50 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 175548651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).