methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate

C13H17N5O2 — CID 78920258

IUPACmethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ncnc3c2cnn3C)C1
InChIInChI=1S/C13H17N5O2/c1-17-11-10(6-16-17)12(15-8-14-11)18-5-3-4-9(7-18)13(19)20-2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyRGMVTRYXMUOEGZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.75
Rot. Bonds2

About methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate

methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 78920258) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID78920258
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Namemethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ncnc3c2cnn3C)C1
InChIInChI=1S/C13H17N5O2/c1-17-11-10(6-16-17)12(15-8-14-11)18-5-3-4-9(7-18)13(19)20-2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyRGMVTRYXMUOEGZ-UHFFFAOYSA-N
XLogP0.75
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 86808303
methyl 1-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 108773360
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 105370413
methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 114049878
methyl (3S)-1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxylate
CID 133326755
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163355013
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 56897120
1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
CID 86808998
(3-aminocyclohexyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119840109

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate (CID 78920258) is methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2ncnc3c2cnn3C)C1.
What is the InChIKey of methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is RGMVTRYXMUOEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-17-11-10(6-16-17)12(15-8-14-11)18-5-3-4-9(7-18)13(19)20-2/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate?
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 78920258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).