2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one

C26H39N5O3 — CID 139370461

IUPAC2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2c(=O)c3cncnc3n2C)C2(CCCC2)C1
InChIInChI=1S/C26H39N5O3/c1-19(14-20-8-4-3-5-9-20)23(32)30-13-12-26(34,25(16-30)10-6-7-11-25)17-31-24(33)21-15-27-18-28-22(21)29(31)2/h15,18-20,34H,3-14,16-17H2,1-2H3/t19-,26?/m1/s1
InChIKeyYZLRTJNYFXFXLZ-ICCFGIFFSA-N
MW469.63 g/mol
LogP3.26
Rot. Bonds5

About 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one

2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 139370461) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID139370461
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC Name2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2c(=O)c3cncnc3n2C)C2(CCCC2)C1
InChIInChI=1S/C26H39N5O3/c1-19(14-20-8-4-3-5-9-20)23(32)30-13-12-26(34,25(16-30)10-6-7-11-25)17-31-24(33)21-15-27-18-28-22(21)29(31)2/h15,18-20,34H,3-14,16-17H2,1-2H3/t19-,26?/m1/s1
InChIKeyYZLRTJNYFXFXLZ-ICCFGIFFSA-N
XLogP3.26
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11807646, Example 64
CID 139369813
US11807646, Example 124
CID 139375425
US11807646, Example 160
CID 139375658
US11807646, Example 54
CID 151563822
US11807646, Example 152
CID 153603004
2-[[10-Hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-one
CID 139369816
2-[[10-Hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-one
CID 154926881
(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(1-methyl-6-methylsulfanyl-3H-pyrazolo[3,4-d]pyrimidin-2-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
CID 155754486
2-[(10-Hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-one
CID 139369864
2-[(10-Hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one
CID 139370379
2-[[7-(3-Cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one
CID 139370462
2-[(10-Hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-one
CID 139375388

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one (CID 139370461) is 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2c(=O)c3cncnc3n2C)C2(CCCC2)C1.
What is the InChIKey of 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is YZLRTJNYFXFXLZ-ICCFGIFFSA-N. The full InChI is InChI=1S/C26H39N5O3/c1-19(14-20-8-4-3-5-9-20)23(32)30-13-12-26(34,25(16-30)10-6-7-11-25)17-31-24(33)21-15-27-18-28-22(21)29(31)2/h15,18-20,34H,3-14,16-17H2,1-2H3/t19-,26?/m1/s1.
What are the key properties of 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?
2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 469.63 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 139370461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).