6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide

C₂₆H₃₀N₆O₂S — CID 150006390

About 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide

6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 150006390) has the molecular formula C₂₆H₃₀N₆O₂S and a molecular weight of 490.63 g/mol. Its IUPAC name is 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide
• PubChem CID: 150006390
• Molecular Formula: C₂₆H₃₀N₆O₂S
• Molecular Weight: 490.63 g/mol
• Exact Mass: 490.22
• IUPAC Name: 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide
• SMILES: COCCc1cc2c(N3CCC4(CCN(Cc5ccc6cc(C(N)=O)[nH]c6c5)C4)C3)ncnc2s1
• InChI: InChI=1S/C26H30N6O2S/c1-34-9-4-19-12-20-24(28-16-29-25(20)35-19)32-8-6-26(15-32)5-7-31(14-26)13-17-2-3-18-11-22(23(27)33)30-21(18)10-17/h2-3,10-12,16,30H,4-9,13-15H2,1H3,(H2,27,33)
• InChIKey: DCJHOSFUQLDUBL-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 100.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.63
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide?

The IUPAC name of 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide (CID 150006390) is 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide?

The canonical SMILES for 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide is COCCc1cc2c(N3CCC4(CCN(Cc5ccc6cc(C(N)=O)[nH]c6c5)C4)C3)ncnc2s1.

What is the InChIKey of 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide?

The InChIKey is DCJHOSFUQLDUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S/c1-34-9-4-19-12-20-24(28-16-29-25(20)35-19)32-8-6-26(15-32)5-7-31(14-26)13-17-2-3-18-11-22(23(27)33)30-21(18)10-17/h2-3,10-12,16,30H,4-9,13-15H2,1H3,(H2,27,33).

What are the key properties of 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide?

6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 150006390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 150006390 — identifiers, structure, computed properties (public domain)

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