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

C25H21N7O4S — CID 118224336

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

2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide (PubChem CID 118224336) has the molecular formula C25H21N7O4S and a molecular weight of 515.56 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-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-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 118224336
• Molecular Formula: C25H21N7O4S
• Molecular Weight: 515.56 g/mol
• Exact Mass: 515.14
• IUPAC Name: 2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1cc(-c2nc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3-c3cc[nH]c(=O)c3)co2)ccn1
• InChI: InChI=1S/C25H21N7O4S/c1-14-10-16(3-4-26-14)24-29-18(13-36-24)23(34)28-17-12-19-22(30-21(17)15-2-5-27-20(33)11-15)31-25(37-19)32-6-8-35-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,27,33)(H,28,34)
• InChIKey: NNTWKOZHAUCURR-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 139.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.56
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-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-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide (CID 118224336) is 2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-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-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-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-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3-c3cc[nH]c(=O)c3)co2)ccn1.

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

The InChIKey is NNTWKOZHAUCURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O4S/c1-14-10-16(3-4-26-14)24-29-18(13-36-24)23(34)28-17-12-19-22(30-21(17)15-2-5-27-20(33)11-15)31-25(37-19)32-6-8-35-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,27,33)(H,28,34).

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

2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 515.56 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118224336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).