1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine

C56H73N15O6S3 — CID 87810991

About 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine

1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine (PubChem CID 87810991) has the molecular formula C56H73N15O6S3 and a molecular weight of 1148.50 g/mol. Its IUPAC name is 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine.

Molecular Properties

• Compound Name: 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine
• PubChem CID: 87810991
• Molecular Formula: C56H73N15O6S3
• Molecular Weight: 1148.50 g/mol
• Exact Mass: 1147.50
• IUPAC Name: 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine
• SMILES: COCCN(C)C1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.O=S(=O)(CCCN1CCOCC1)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
• InChI: InChI=1S/C29H38N8O4S2.C27H35N7O2S/c38-43(39,18-2-5-34-10-14-40-15-11-34)37-8-6-35(7-9-37)21-22-19-26-27(42-22)29(36-12-16-41-17-13-36)32-28(31-26)23-3-1-4-25-24(23)20-30-33-25;1-32(10-13-35-2)19-6-8-33(9-7-19)18-20-16-24-25(37-20)27(34-11-14-36-15-12-34)30-26(29-24)21-4-3-5-23-22(21)17-28-31-23/h1,3-4,19-20H,2,5-18,21H2,(H,30,33);3-5,16-17,19H,6-15,18H2,1-2H3,(H,28,31)
• InChIKey: CFEKTQVKAABNSC-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 202.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1148.50
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine?

The IUPAC name of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine (CID 87810991) is 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine.

What is the SMILES notation for 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine?

The canonical SMILES for 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine is COCCN(C)C1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.O=S(=O)(CCCN1CCOCC1)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.

What is the InChIKey of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine?

The InChIKey is CFEKTQVKAABNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O4S2.C27H35N7O2S/c38-43(39,18-2-5-34-10-14-40-15-11-34)37-8-6-35(7-9-37)21-22-19-26-27(42-22)29(36-12-16-41-17-13-36)32-28(31-26)23-3-1-4-25-24(23)20-30-33-25;1-32(10-13-35-2)19-6-8-33(9-7-19)18-20-16-24-25(37-20)27(34-11-14-36-15-12-34)30-26(29-24)21-4-3-5-23-22(21)17-28-31-23/h1,3-4,19-20H,2,5-18,21H2,(H,30,33);3-5,16-17,19H,6-15,18H2,1-2H3,(H,28,31).

What are the key properties of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine?

1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine has a molecular weight of 1148.50 g/mol, XLogP of 5.85, 17 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine;4-[3-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylpropyl]morpholine is sourced from PubChem (CID 87810991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).