(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine

C23H28N8O2S — CID 175910822

About (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine

(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine (PubChem CID 175910822) has the molecular formula C23H28N8O2S and a molecular weight of 480.60 g/mol. Its IUPAC name is (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine.

Molecular Properties

• Compound Name: (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
• PubChem CID: 175910822
• Molecular Formula: C23H28N8O2S
• Molecular Weight: 480.60 g/mol
• Exact Mass: 480.21
• IUPAC Name: (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
• SMILES: CCn1nncc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nsc12
• InChI: InChI=1S/C23H28N8O2S/c1-3-30-18(13-24-28-30)16-12-19(29-9-11-32-14-15(29)2)26-22-21(27-34-23(16)22)17-7-8-25-31(17)20-6-4-5-10-33-20/h7-8,12-13,15,20H,3-6,9-11,14H2,1-2H3/t15-,20?/m1/s1
• InChIKey: DAAHNHHLCMJXEM-IWPPFLRJSA-N
• XLogP: 3.76
• TPSA: 96.01 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.60
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?

The IUPAC name of (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine (CID 175910822) is (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine.

What is the SMILES notation for (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?

The canonical SMILES for (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine is CCn1nncc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nsc12.

What is the InChIKey of (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?

The InChIKey is DAAHNHHLCMJXEM-IWPPFLRJSA-N. The full InChI is InChI=1S/C23H28N8O2S/c1-3-30-18(13-24-28-30)16-12-19(29-9-11-32-14-15(29)2)26-22-21(27-34-23(16)22)17-7-8-25-31(17)20-6-4-5-10-33-20/h7-8,12-13,15,20H,3-6,9-11,14H2,1-2H3/t15-,20?/m1/s1.

What are the key properties of (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?

(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine has a molecular weight of 480.60 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 175910822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).