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

C₂₄H₂₇N₇O₂S — CID 155510913

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

N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 155510913) has the molecular formula C₂₄H₂₇N₇O₂S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]acetamide
• PubChem CID: 155510913
• Molecular Formula: C₂₄H₂₇N₇O₂S
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.19
• IUPAC Name: N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]acetamide
• SMILES: CC(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1
• InChI: InChI=1S/C24H27N7O2S/c1-15(32)26-16-5-6-30(13-16)14-17-11-21-22(34-17)24(31-7-9-33-10-8-31)28-23(27-21)18-3-2-4-20-19(18)12-25-29-20/h2-4,11-12,16H,5-10,13-14H2,1H3,(H,25,29)(H,26,32)
• InChIKey: UVYADRSKNLMFSX-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]pyrrolidin-3-yl]acetamide?

The IUPAC name of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]acetamide (CID 155510913) is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]acetamide.

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

The canonical SMILES for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(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]pyrrolidin-3-yl]acetamide?

The InChIKey is UVYADRSKNLMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-15(32)26-16-5-6-30(13-16)14-17-11-21-22(34-17)24(31-7-9-33-10-8-31)28-23(27-21)18-3-2-4-20-19(18)12-25-29-20/h2-4,11-12,16H,5-10,13-14H2,1H3,(H,25,29)(H,26,32).

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

N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 477.59 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 155510913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155510913 — identifiers, structure, computed properties (public domain)

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