N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide

C₂₆H₃₁N₇O₃S — CID 155565763

About N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide

N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide (PubChem CID 155565763) has the molecular formula C₂₆H₃₁N₇O₃S and a molecular weight of 521.65 g/mol. Its IUPAC name is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide
• PubChem CID: 155565763
• Molecular Formula: C₂₆H₃₁N₇O₃S
• Molecular Weight: 521.65 g/mol
• Exact Mass: 521.22
• IUPAC Name: N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide
• SMILES: COCC(=O)NC1CCCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1
• InChI: InChI=1S/C26H31N7O3S/c1-35-16-23(34)28-17-4-3-7-32(14-17)15-18-12-22-24(37-18)26(33-8-10-36-11-9-33)30-25(29-22)19-5-2-6-21-20(19)13-27-31-21/h2,5-6,12-13,17H,3-4,7-11,14-16H2,1H3,(H,27,31)(H,28,34)
• InChIKey: HFAWHWVHZJPDOZ-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 108.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.65
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide?

The IUPAC name of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide (CID 155565763) is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide.

What is the SMILES notation for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide?

The canonical SMILES for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1CCCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1.

What is the InChIKey of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide?

The InChIKey is HFAWHWVHZJPDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3S/c1-35-16-23(34)28-17-4-3-7-32(14-17)15-18-12-22-24(37-18)26(33-8-10-36-11-9-33)30-25(29-22)19-5-2-6-21-20(19)13-27-31-21/h2,5-6,12-13,17H,3-4,7-11,14-16H2,1H3,(H,27,31)(H,28,34).

What are the key properties of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide?

N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 521.65 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 155565763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155565763 — identifiers, structure, computed properties (public domain)

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