(3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine

C24H21FN6OS — CID 175865201

About (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 175865201) has the molecular formula C24H21FN6OS and a molecular weight of 460.54 g/mol. Its IUPAC name is (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

• Compound Name: (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
• PubChem CID: 175865201
• Molecular Formula: C24H21FN6OS
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.15
• IUPAC Name: (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
• SMILES: Cc1nc(F)ccc1-c1csc2c(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)nc12
• InChI: InChI=1S/C24H21FN6OS/c1-13-11-32-10-9-31(13)24-21-20(18(12-33-21)15-3-4-19(25)28-14(15)2)29-23(30-24)17-6-8-27-22-16(17)5-7-26-22/h3-8,12-13H,9-11H2,1-2H3,(H,26,27)/t13-/m1/s1
• InChIKey: QPUCNYRKFTUWBR-CYBMUJFWSA-N
• XLogP: 4.97
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?

The IUPAC name of (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine (CID 175865201) is (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine.

What is the SMILES notation for (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?

The canonical SMILES for (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine is Cc1nc(F)ccc1-c1csc2c(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)nc12.

What is the InChIKey of (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?

The InChIKey is QPUCNYRKFTUWBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H21FN6OS/c1-13-11-32-10-9-31(13)24-21-20(18(12-33-21)15-3-4-19(25)28-14(15)2)29-23(30-24)17-6-8-27-22-16(17)5-7-26-22/h3-8,12-13H,9-11H2,1-2H3,(H,26,27)/t13-/m1/s1.

What are the key properties of (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?

(3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 460.54 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[7-(6-fluoro-2-methyl-3-pyridinyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 175865201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).