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

C26H29N7O3S — CID 175460563

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

N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 175460563) has the molecular formula C26H29N7O3S and a molecular weight of 519.63 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 175460563
• Molecular Formula: C26H29N7O3S
• Molecular Weight: 519.63 g/mol
• Exact Mass: 519.21
• IUPAC Name: N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1cc(-c2nc(C(=O)Nc3cc4sc(C5CNCCO5)nc4nc3N3CCCCCC3)co2)ccn1
• InChI: InChI=1S/C26H29N7O3S/c1-16-12-17(6-7-28-16)25-30-19(15-36-25)24(34)29-18-13-21-22(31-23(18)33-9-4-2-3-5-10-33)32-26(37-21)20-14-27-8-11-35-20/h6-7,12-13,15,20,27H,2-5,8-11,14H2,1H3,(H,29,34)
• InChIKey: BZLSVVWDUYAORF-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 118.30 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	519.63
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 175460563) is N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4sc(C5CNCCO5)nc4nc3N3CCCCCC3)co2)ccn1.

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

The InChIKey is BZLSVVWDUYAORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3S/c1-16-12-17(6-7-28-16)25-30-19(15-36-25)24(34)29-18-13-21-22(31-23(18)33-9-4-2-3-5-10-33)32-26(37-21)20-14-27-8-11-35-20/h6-7,12-13,15,20,27H,2-5,8-11,14H2,1H3,(H,29,34).

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

N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 519.63 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 175460563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).