5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C27H35N7O3 — CID 139370435

IUPAC5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cnc21
InChIInChI=1S/C27H35N7O3/c1-31-23-21(15-30-31)24(35)33(19-29-23)18-27(37)11-13-32(17-26(27)9-5-6-10-26)25(36)34-14-12-28-16-22(34)20-7-3-2-4-8-20/h2-4,7-8,15,19,22,28,37H,5-6,9-14,16-18H2,1H3/t22-,27?/m0/s1
InChIKeyVOFYVBNABTZKGU-YMQLSTQVSA-N
MW505.62 g/mol
LogP1.89
Rot. Bonds3

About 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 139370435) has the molecular formula C27H35N7O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID139370435
Molecular FormulaC27H35N7O3
Molecular Weight505.62 g/mol
Exact Mass505.28
IUPAC Name5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cnc21
InChIInChI=1S/C27H35N7O3/c1-31-23-21(15-30-31)24(35)33(19-29-23)18-27(37)11-13-32(17-26(27)9-5-6-10-26)25(36)34-14-12-28-16-22(34)20-7-3-2-4-8-20/h2-4,7-8,15,19,22,28,37H,5-6,9-14,16-18H2,1H3/t22-,27?/m0/s1
InChIKeyVOFYVBNABTZKGU-YMQLSTQVSA-N
XLogP1.89
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

5-[1-[4-Hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 145961432
6-[(1R)-1-(3-benzyl-3-hydroxyazetidin-1-yl)ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137292407
US11807646, Example 183
CID 139370315
US11807646, Example 176
CID 139370451
US11807646, Example 291
CID 139370511
US11807646, Example 167
CID 139370622
US11807646, Example 205
CID 139375460
US11807646, Example 172
CID 139375463
US11807646, Example 328
CID 139375491
US11807646, Example 178
CID 139375574
US11807646, Example 289
CID 139375668
US11807646, Example 329
CID 149904760

Frequently Asked Questions

What is the IUPAC name of 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 139370435) is 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(CC3(O)CCN(C(=O)N4CCNC[C@H]4c4ccccc4)CC34CCCC4)cnc21.
What is the InChIKey of 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VOFYVBNABTZKGU-YMQLSTQVSA-N. The full InChI is InChI=1S/C27H35N7O3/c1-31-23-21(15-30-31)24(35)33(19-29-23)18-27(37)11-13-32(17-26(27)9-5-6-10-26)25(36)34-14-12-28-16-22(34)20-7-3-2-4-8-20/h2-4,7-8,15,19,22,28,37H,5-6,9-14,16-18H2,1H3/t22-,27?/m0/s1.
What are the key properties of 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 505.62 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 139370435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).