8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one

C18H21N7OS — CID 175894964

About 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one

8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 175894964) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 175894964
• Molecular Formula: C18H21N7OS
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.15
• IUPAC Name: 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
• SMILES: Cc1cc(Nc2nc(N3CCC4(CCNC4=O)CC3)nc3ccsc23)n[nH]1
• InChI: InChI=1S/C18H21N7OS/c1-11-10-13(24-23-11)21-15-14-12(2-9-27-14)20-17(22-15)25-7-4-18(5-8-25)3-6-19-16(18)26/h2,9-10H,3-8H2,1H3,(H,19,26)(H2,20,21,22,23,24)
• InChIKey: QWZBMEURMBLGFT-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 98.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one?

The IUPAC name of 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 175894964) is 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cc(Nc2nc(N3CCC4(CCNC4=O)CC3)nc3ccsc23)n[nH]1.

What is the InChIKey of 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is QWZBMEURMBLGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-11-10-13(24-23-11)21-15-14-12(2-9-27-14)20-17(22-15)25-7-4-18(5-8-25)3-6-19-16(18)26/h2,9-10H,3-8H2,1H3,(H,19,26)(H2,20,21,22,23,24).

What are the key properties of 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one?

8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 383.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 175894964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).