6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C16H25N5O2 — CID 95718779

IUPAC6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCCCO[C@H]1CCCN(c2nc(COC)nc3c2cnn3C)C1
InChIInChI=1S/C16H25N5O2/c1-4-8-23-12-6-5-7-21(10-12)16-13-9-17-20(2)15(13)18-14(19-16)11-22-3/h9,12H,4-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyOSUQXELDWGJTBJ-LBPRGKRZSA-N
MW319.41 g/mol
LogP1.91
Rot. Bonds6

About 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine

6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 95718779) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID95718779
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCCCO[C@H]1CCCN(c2nc(COC)nc3c2cnn3C)C1
InChIInChI=1S/C16H25N5O2/c1-4-8-23-12-6-5-7-21(10-12)16-13-9-17-20(2)15(13)18-14(19-16)11-22-3/h9,12H,4-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyOSUQXELDWGJTBJ-LBPRGKRZSA-N
XLogP1.91
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95729184
4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136738167
(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95716543
6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 56885738
2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 95718016
ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 56897120
1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95882991
2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 56883146
4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
CID 80953514
[4-(3-propoxypiperidin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103332970
6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221063
4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine
CID 95871874

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 95718779) is 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine is CCCO[C@H]1CCCN(c2nc(COC)nc3c2cnn3C)C1.
What is the InChIKey of 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is OSUQXELDWGJTBJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-4-8-23-12-6-5-7-21(10-12)16-13-9-17-20(2)15(13)18-14(19-16)11-22-3/h9,12H,4-8,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 319.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95718779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).