2-(2-methoxy-4-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

C25H29N7O4S — CID 135334309

About 2-(2-methoxy-4-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-methoxy-4-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 135334309) has the molecular formula C25H29N7O4S and a molecular weight of 523.62 g/mol. Its IUPAC name is 2-(2-methoxy-4-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-methoxy-4-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: 135334309
• Molecular Formula: C25H29N7O4S
• Molecular Weight: 523.62 g/mol
• Exact Mass: 523.20
• IUPAC Name: 2-(2-methoxy-4-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: COc1cc(C2OC=C(C(N)=O)N2c2cc3sc(N4CCOCC4)nc3nc2N2CCCCC2)ccn1
• InChI: InChI=1S/C25H29N7O4S/c1-34-20-13-16(5-6-27-20)24-32(18(15-36-24)21(26)33)17-14-19-22(28-23(17)30-7-3-2-4-8-30)29-25(37-19)31-9-11-35-12-10-31/h5-6,13-15,24H,2-4,7-12H2,1H3,(H2,26,33)
• InChIKey: DUHTWFAADZYMJZ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 119.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.62
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-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-methoxy-4-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 135334309) is 2-(2-methoxy-4-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-methoxy-4-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-methoxy-4-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 COc1cc(C2OC=C(C(N)=O)N2c2cc3sc(N4CCOCC4)nc3nc2N2CCCCC2)ccn1.

What is the InChIKey of 2-(2-methoxy-4-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 DUHTWFAADZYMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4S/c1-34-20-13-16(5-6-27-20)24-32(18(15-36-24)21(26)33)17-14-19-22(28-23(17)30-7-3-2-4-8-30)29-25(37-19)31-9-11-35-12-10-31/h5-6,13-15,24H,2-4,7-12H2,1H3,(H2,26,33).

What are the key properties of 2-(2-methoxy-4-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-methoxy-4-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 523.62 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxy-4-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 135334309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).