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

C33H35N7O3S — CID 118224162

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

2-(2-methyl-4-pyridinyl)-N-[2-(3-phenylmethoxypiperidin-1-yl)-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide (PubChem CID 118224162) has the molecular formula C33H35N7O3S and a molecular weight of 609.76 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-N-[2-(3-phenylmethoxypiperidin-1-yl)-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-methyl-4-pyridinyl)-N-[2-(3-phenylmethoxypiperidin-1-yl)-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 118224162
• Molecular Formula: C33H35N7O3S
• Molecular Weight: 609.76 g/mol
• Exact Mass: 609.25
• IUPAC Name: 2-(2-methyl-4-pyridinyl)-N-[2-(3-phenylmethoxypiperidin-1-yl)-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1cc(-c2nc(C(=O)Nc3cc4sc(N5CCCC(OCc6ccccc6)C5)nc4nc3N3CCCCC3)co2)ccn1
• InChI: InChI=1S/C33H35N7O3S/c1-22-17-24(12-13-34-22)32-36-27(21-43-32)31(41)35-26-18-28-29(37-30(26)39-14-6-3-7-15-39)38-33(44-28)40-16-8-11-25(19-40)42-20-23-9-4-2-5-10-23/h2,4-5,9-10,12-13,17-18,21,25H,3,6-8,11,14-16,19-20H2,1H3,(H,35,41)
• InChIKey: MGVWBSCWMPVTHR-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 109.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.76
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[2-(3-phenylmethoxypiperidin-1-yl)-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide (CID 118224162) is 2-(2-methyl-4-pyridinyl)-N-[2-(3-phenylmethoxypiperidin-1-yl)-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for 2-(2-methyl-4-pyridinyl)-N-[2-(3-phenylmethoxypiperidin-1-yl)-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4sc(N5CCCC(OCc6ccccc6)C5)nc4nc3N3CCCCC3)co2)ccn1.

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

The InChIKey is MGVWBSCWMPVTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N7O3S/c1-22-17-24(12-13-34-22)32-36-27(21-43-32)31(41)35-26-18-28-29(37-30(26)39-14-6-3-7-15-39)38-33(44-28)40-16-8-11-25(19-40)42-20-23-9-4-2-5-10-23/h2,4-5,9-10,12-13,17-18,21,25H,3,6-8,11,14-16,19-20H2,1H3,(H,35,41).

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

2-(2-methyl-4-pyridinyl)-N-[2-(3-phenylmethoxypiperidin-1-yl)-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 609.76 g/mol, XLogP of 6.48, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-4-pyridinyl)-N-[2-(3-phenylmethoxypiperidin-1-yl)-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118224162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).