4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine

C24H22N6O2S — CID 59593086

About 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 59593086) has the molecular formula C24H22N6O2S and a molecular weight of 458.55 g/mol. Its IUPAC name is 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine
• PubChem CID: 59593086
• Molecular Formula: C24H22N6O2S
• Molecular Weight: 458.55 g/mol
• Exact Mass: 458.15
• IUPAC Name: 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine
• SMILES: COc1ccncc1-c1sc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc2c1C
• InChI: InChI=1S/C24H22N6O2S/c1-14-20-22(33-21(14)17-12-25-7-6-19(17)31-2)24(30-8-10-32-11-9-30)28-23(27-20)15-4-3-5-18-16(15)13-26-29-18/h3-7,12-13H,8-11H2,1-2H3,(H,26,29)
• InChIKey: DLSJNHFRWWVXIB-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 89.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.55
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine?

The IUPAC name of 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine (CID 59593086) is 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine is COc1ccncc1-c1sc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc2c1C.

What is the InChIKey of 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine?

The InChIKey is DLSJNHFRWWVXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c1-14-20-22(33-21(14)17-12-25-7-6-19(17)31-2)24(30-8-10-32-11-9-30)28-23(27-20)15-4-3-5-18-16(15)13-26-29-18/h3-7,12-13H,8-11H2,1-2H3,(H,26,29).

What are the key properties of 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine?

4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 458.55 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59593086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).