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

C24H24N8O3S — CID 135334343

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

3-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 135334343) has the molecular formula C24H24N8O3S and a molecular weight of 504.58 g/mol. Its IUPAC name is 3-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-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-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
• PubChem CID: 135334343
• Molecular Formula: C24H24N8O3S
• Molecular Weight: 504.58 g/mol
• Exact Mass: 504.17
• IUPAC Name: 3-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-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(N4CCOCC4)nc3nc2-c2cnn(C)c2)ccn1
• InChI: InChI=1S/C24H24N8O3S/c1-14-9-15(3-4-26-14)23-32(18(13-35-23)21(25)33)17-10-19-22(28-20(17)16-11-27-30(2)12-16)29-24(36-19)31-5-7-34-8-6-31/h3-4,9-13,23H,5-8H2,1-2H3,(H2,25,33)
• InChIKey: HVFBITTTZVLMMQ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 124.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.58
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-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-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide (CID 135334343) is 3-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-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-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-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-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-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(N4CCOCC4)nc3nc2-c2cnn(C)c2)ccn1.

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

The InChIKey is HVFBITTTZVLMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3S/c1-14-9-15(3-4-26-14)23-32(18(13-35-23)21(25)33)17-10-19-22(28-20(17)16-11-27-30(2)12-16)29-24(36-19)31-5-7-34-8-6-31/h3-4,9-13,23H,5-8H2,1-2H3,(H2,25,33).

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

3-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-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 504.58 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-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 135334343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).