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

C₂₄H₂₈N₈O₂S — CID 155534594

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

1-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-3-methylurea (PubChem CID 155534594) has the molecular formula C₂₄H₂₈N₈O₂S and a molecular weight of 492.61 g/mol. Its IUPAC name is 1-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-3-methylurea.

Molecular Properties

• Compound Name: 1-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-3-methylurea
• PubChem CID: 155534594
• Molecular Formula: C₂₄H₂₈N₈O₂S
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.21
• IUPAC Name: 1-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-3-methylurea
• SMILES: CNC(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1
• InChI: InChI=1S/C24H28N8O2S/c1-25-24(33)27-15-5-6-31(13-15)14-16-11-20-21(35-16)23(32-7-9-34-10-8-32)29-22(28-20)17-3-2-4-19-18(17)12-26-30-19/h2-4,11-12,15H,5-10,13-14H2,1H3,(H,26,30)(H2,25,27,33)
• InChIKey: AVFHBTODDUNHNL-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 111.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-3-methylurea (CID 155534594) is 1-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-3-methylurea.

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

The canonical SMILES for 1-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-3-methylurea is CNC(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1.

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

The InChIKey is AVFHBTODDUNHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-25-24(33)27-15-5-6-31(13-15)14-16-11-20-21(35-16)23(32-7-9-34-10-8-32)29-22(28-20)17-3-2-4-19-18(17)12-26-30-19/h2-4,11-12,15H,5-10,13-14H2,1H3,(H,26,30)(H2,25,27,33).

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

1-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-3-methylurea has a molecular weight of 492.61 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-3-methylurea is sourced from PubChem (CID 155534594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155534594 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.