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

C16H23N5O2 — CID 139370379

IUPAC2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCn1c2ncncc2c(=O)n1CC1(O)CCNCC12CCCC2
InChIInChI=1S/C16H23N5O2/c1-20-13-12(8-18-11-19-13)14(22)21(20)10-16(23)6-7-17-9-15(16)4-2-3-5-15/h8,11,17,23H,2-7,9-10H2,1H3
InChIKeyQARQYJWWOFABBW-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.41
Rot. Bonds2

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

2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 139370379) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID139370379
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCn1c2ncncc2c(=O)n1CC1(O)CCNCC12CCCC2
InChIInChI=1S/C16H23N5O2/c1-20-13-12(8-18-11-19-13)14(22)21(20)10-16(23)6-7-17-9-15(16)4-2-3-5-15/h8,11,17,23H,2-7,9-10H2,1H3
InChIKeyQARQYJWWOFABBW-UHFFFAOYSA-N
XLogP0.41
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one (CID 139370379) is 2-[(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-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one is Cn1c2ncncc2c(=O)n1CC1(O)CCNCC12CCCC2.
What is the InChIKey of 2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is QARQYJWWOFABBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-20-13-12(8-18-11-19-13)14(22)21(20)10-16(23)6-7-17-9-15(16)4-2-3-5-15/h8,11,17,23H,2-7,9-10H2,1H3.
What are the key properties of 2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?
2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 317.39 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 139370379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).