3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide

C26H31N7O4S — CID 155384773

About 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide

3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 155384773) has the molecular formula C26H31N7O4S and a molecular weight of 537.65 g/mol. Its IUPAC name is 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
• PubChem CID: 155384773
• Molecular Formula: C26H31N7O4S
• Molecular Weight: 537.65 g/mol
• Exact Mass: 537.22
• IUPAC Name: 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
• SMILES: Cc1cc(C2OC=C(C(N)=O)N2c2cc3sc(N4CCCC(O)C4)nc3nc2N2CCC(O)CC2)ccn1
• InChI: InChI=1S/C26H31N7O4S/c1-15-11-16(4-7-28-15)25-33(20(14-37-25)22(27)36)19-12-21-23(29-24(19)31-9-5-17(34)6-10-31)30-26(38-21)32-8-2-3-18(35)13-32/h4,7,11-12,14,17-18,25,34-35H,2-3,5-6,8-10,13H2,1H3,(H2,27,36)
• InChIKey: YBBODIGHYKDZDG-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 141.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.65
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?

The IUPAC name of 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide (CID 155384773) is 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?

The canonical SMILES for 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide is Cc1cc(C2OC=C(C(N)=O)N2c2cc3sc(N4CCCC(O)C4)nc3nc2N2CCC(O)CC2)ccn1.

What is the InChIKey of 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?

The InChIKey is YBBODIGHYKDZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O4S/c1-15-11-16(4-7-28-15)25-33(20(14-37-25)22(27)36)19-12-21-23(29-24(19)31-9-5-17(34)6-10-31)30-26(38-21)32-8-2-3-18(35)13-32/h4,7,11-12,14,17-18,25,34-35H,2-3,5-6,8-10,13H2,1H3,(H2,27,36).

What are the key properties of 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?

3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide has a molecular weight of 537.65 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155384773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).