4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol

C17H25N5O4 — CID 72825525

IUPAC4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ncnc2c(CN3CC(O)C(CO)C3)n(C3CCCCO3)nc12
InChIInChI=1S/C17H25N5O4/c1-25-17-16-15(18-10-19-17)12(7-21-6-11(9-23)13(24)8-21)22(20-16)14-4-2-3-5-26-14/h10-11,13-14,23-24H,2-9H2,1H3
InChIKeyCPMCXQJDRAVKHY-UHFFFAOYSA-N
MW363.42 g/mol
LogP0.32
Rot. Bonds5

About 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol

4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 72825525) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol
PubChem CID72825525
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ncnc2c(CN3CC(O)C(CO)C3)n(C3CCCCO3)nc12
InChIInChI=1S/C17H25N5O4/c1-25-17-16-15(18-10-19-17)12(7-21-6-11(9-23)13(24)8-21)22(20-16)14-4-2-3-5-26-14/h10-11,13-14,23-24H,2-9H2,1H3
InChIKeyCPMCXQJDRAVKHY-UHFFFAOYSA-N
XLogP0.32
TPSA105.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

3-diethoxyphosphoryl-N-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]propan-1-amine
CID 89155884
3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine
CID 558926
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 10037827
3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228857
2-methoxy-N-[4-[[9-(oxan-2-yl)purin-6-yl]amino]phenyl]pyridine-3-carboxamide
CID 71578227
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 68988720
9-(oxan-2-yl)-6-propan-2-ylpurine
CID 15277787
4-methoxy-1-(oxan-2-yl)benzimidazole-5-carbaldehyde
CID 86694690
[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 114178800
8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine
CID 153402974

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol (CID 72825525) is 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol is COc1ncnc2c(CN3CC(O)C(CO)C3)n(C3CCCCO3)nc12.
What is the InChIKey of 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is CPMCXQJDRAVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-25-17-16-15(18-10-19-17)12(7-21-6-11(9-23)13(24)8-21)22(20-16)14-4-2-3-5-26-14/h10-11,13-14,23-24H,2-9H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol?
4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 363.42 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[[7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidin-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 72825525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).