6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one

C26H34F3N5O4 — CID 139375523

About 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one

6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 139375523) has the molecular formula C26H34F3N5O4 and a molecular weight of 537.58 g/mol. Its IUPAC name is 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one
• PubChem CID: 139375523
• Molecular Formula: C26H34F3N5O4
• Molecular Weight: 537.58 g/mol
• Exact Mass: 537.26
• IUPAC Name: 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one
• SMILES: C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3nc(N4CCOCC4)ncc3c2=O)C2(CCCC2)C1
• InChI: InChI=1S/C26H34F3N5O4/c1-18(14-26(27,28)29)21(35)34-9-7-25(37,24(16-34)5-2-3-6-24)17-33-8-4-20-19(22(33)36)15-30-23(31-20)32-10-12-38-13-11-32/h4,8,15,18,37H,2-3,5-7,9-14,16-17H2,1H3/t18-,25?/m1/s1
• InChIKey: RPHKKTXSFQMKRG-YDONVPIESA-N
• XLogP: 2.74
• TPSA: 100.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.58
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?

The IUPAC name of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one (CID 139375523) is 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one.

What is the SMILES notation for 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?

The canonical SMILES for 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one is C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3nc(N4CCOCC4)ncc3c2=O)C2(CCCC2)C1.

What is the InChIKey of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?

The InChIKey is RPHKKTXSFQMKRG-YDONVPIESA-N. The full InChI is InChI=1S/C26H34F3N5O4/c1-18(14-26(27,28)29)21(35)34-9-7-25(37,24(16-34)5-2-3-6-24)17-33-8-4-20-19(22(33)36)15-30-23(31-20)32-10-12-38-13-11-32/h4,8,15,18,37H,2-3,5-7,9-14,16-17H2,1H3/t18-,25?/m1/s1.

What are the key properties of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?

6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 537.58 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 139375523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).