4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C27H30N8OS2 — CID 11613647

About 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 11613647) has the molecular formula C27H30N8OS2 and a molecular weight of 546.73 g/mol. Its IUPAC name is 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
• PubChem CID: 11613647
• Molecular Formula: C27H30N8OS2
• Molecular Weight: 546.73 g/mol
• Exact Mass: 546.20
• IUPAC Name: 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
• SMILES: Cc1csc(CN2CCN(Cc3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)CC2)n1
• InChI: InChI=1S/C27H30N8OS2/c1-18-17-37-24(29-18)16-34-7-5-33(6-8-34)15-19-13-23-25(38-19)27(35-9-11-36-12-10-35)31-26(30-23)20-3-2-4-22-21(20)14-28-32-22/h2-4,13-14,17H,5-12,15-16H2,1H3,(H,28,32)
• InChIKey: HWGDLLHBJJJHSH-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 86.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.73
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?

The IUPAC name of 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 11613647) is 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is Cc1csc(CN2CCN(Cc3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)CC2)n1.

What is the InChIKey of 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?

The InChIKey is HWGDLLHBJJJHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8OS2/c1-18-17-37-24(29-18)16-34-7-5-33(6-8-34)15-19-13-23-25(38-19)27(35-9-11-36-12-10-35)31-26(30-23)20-3-2-4-22-21(20)14-28-32-22/h2-4,13-14,17H,5-12,15-16H2,1H3,(H,28,32).

What are the key properties of 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?

4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 546.73 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(1H-indazol-4-yl)-6-[[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 11613647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).