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

C25H29N7O3S — CID 135334393

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

2-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 135334393) has the molecular formula C25H29N7O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is 2-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide
• PubChem CID: 135334393
• Molecular Formula: C25H29N7O3S
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.21
• IUPAC Name: 2-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide
• SMILES: Cc1ncccc1C1OC=C(C(N)=O)N1c1cc2sc(N3CCOCC3)nc2nc1N1CCCCC1
• InChI: InChI=1S/C25H29N7O3S/c1-16-17(6-5-7-27-16)24-32(19(15-35-24)21(26)33)18-14-20-22(28-23(18)30-8-3-2-4-9-30)29-25(36-20)31-10-12-34-13-11-31/h5-7,14-15,24H,2-4,8-13H2,1H3,(H2,26,33)
• InChIKey: SRECNATZCUBDOJ-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 109.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide (CID 135334393) is 2-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for 2-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide is Cc1ncccc1C1OC=C(C(N)=O)N1c1cc2sc(N3CCOCC3)nc2nc1N1CCCCC1.

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

The InChIKey is SRECNATZCUBDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3S/c1-16-17(6-5-7-27-16)24-32(19(15-35-24)21(26)33)18-14-20-22(28-23(18)30-8-3-2-4-9-30)29-25(36-20)31-10-12-34-13-11-31/h5-7,14-15,24H,2-4,8-13H2,1H3,(H2,26,33).

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

2-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide has a molecular weight of 507.62 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135334393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).