6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one

C26H35F3N6O3 — CID 139375394

About 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-piperazin-1-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-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 139375394) has the molecular formula C26H35F3N6O3 and a molecular weight of 536.60 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-piperazin-1-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-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one
• PubChem CID: 139375394
• Molecular Formula: C26H35F3N6O3
• Molecular Weight: 536.60 g/mol
• Exact Mass: 536.27
• IUPAC Name: 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one
• SMILES: C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3nc(N4CCNCC4)ncc3c2=O)C2(CCCC2)C1
• InChI: InChI=1S/C26H35F3N6O3/c1-18(14-26(27,28)29)21(36)35-11-7-25(38,24(16-35)5-2-3-6-24)17-34-10-4-20-19(22(34)37)15-31-23(32-20)33-12-8-30-9-13-33/h4,10,15,18,30,38H,2-3,5-9,11-14,16-17H2,1H3/t18-,25?/m1/s1
• InChIKey: WHKFOUULLOZRRY-YDONVPIESA-N
• XLogP: 2.31
• TPSA: 103.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.60
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
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-piperazin-1-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-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one (CID 139375394) is 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-piperazin-1-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-piperazin-1-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-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one is C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2ccc3nc(N4CCNCC4)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-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one?

The InChIKey is WHKFOUULLOZRRY-YDONVPIESA-N. The full InChI is InChI=1S/C26H35F3N6O3/c1-18(14-26(27,28)29)21(36)35-11-7-25(38,24(16-35)5-2-3-6-24)17-34-10-4-20-19(22(34)37)15-31-23(32-20)33-12-8-30-9-13-33/h4,10,15,18,30,38H,2-3,5-9,11-14,16-17H2,1H3/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-piperazin-1-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-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 536.60 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 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-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 139375394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).