2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide

C26H35N7O4 — CID 136645394

About 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide

2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 136645394) has the molecular formula C26H35N7O4 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

• Compound Name: 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide
• PubChem CID: 136645394
• Molecular Formula: C26H35N7O4
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.28
• IUPAC Name: 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide
• SMILES: CCCc1nn(C)c2c(=O)[nH]c(-c3cc(N4CCC5(CCCN(C(=O)NO)C5)C4)ccc3OCC)nc12
• InChI: InChI=1S/C26H35N7O4/c1-4-7-19-21-22(31(3)29-19)24(34)28-23(27-21)18-14-17(8-9-20(18)37-5-2)32-13-11-26(15-32)10-6-12-33(16-26)25(35)30-36/h8-9,14,36H,4-7,10-13,15-16H2,1-3H3,(H,30,35)(H,27,28,34)
• InChIKey: PICIRCUMRGWCNP-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 128.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide?

The IUPAC name of 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 136645394) is 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide.

What is the SMILES notation for 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide?

The canonical SMILES for 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide is CCCc1nn(C)c2c(=O)[nH]c(-c3cc(N4CCC5(CCCN(C(=O)NO)C5)C4)ccc3OCC)nc12.

What is the InChIKey of 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide?

The InChIKey is PICIRCUMRGWCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O4/c1-4-7-19-21-22(31(3)29-19)24(34)28-23(27-21)18-14-17(8-9-20(18)37-5-2)32-13-11-26(15-32)10-6-12-33(16-26)25(35)30-36/h8-9,14,36H,4-7,10-13,15-16H2,1-3H3,(H,30,35)(H,27,28,34).

What are the key properties of 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide?

2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 136645394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).