methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate

C17H21N7O2 — CID 24821559

IUPACmethyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1NCCC[C@@H]1c1cc(N)n2ncc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C17H21N7O2/c1-23-9-10(7-20-23)12-8-21-24-14(18)6-13(22-16(12)24)11-4-3-5-19-15(11)17(25)26-2/h6-9,11,15,19H,3-5,18H2,1-2H3/t11-,15+/m1/s1
InChIKeyQCOBDUKJQREIBZ-ABAIWWIYSA-N
MW355.40 g/mol
LogP0.72
Rot. Bonds3

About methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate

methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate (PubChem CID 24821559) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
PubChem CID24821559
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Namemethyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1NCCC[C@@H]1c1cc(N)n2ncc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C17H21N7O2/c1-23-9-10(7-20-23)12-8-21-24-14(18)6-13(22-16(12)24)11-4-3-5-19-15(11)17(25)26-2/h6-9,11,15,19H,3-5,18H2,1-2H3/t11-,15+/m1/s1
InChIKeyQCOBDUKJQREIBZ-ABAIWWIYSA-N
XLogP0.72
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
The IUPAC name of methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate (CID 24821559) is methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate is COC(=O)[C@H]1NCCC[C@@H]1c1cc(N)n2ncc(-c3cnn(C)c3)c2n1.
What is the InChIKey of methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
The InChIKey is QCOBDUKJQREIBZ-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-23-9-10(7-20-23)12-8-21-24-14(18)6-13(22-16(12)24)11-4-3-5-19-15(11)17(25)26-2/h6-9,11,15,19H,3-5,18H2,1-2H3/t11-,15+/m1/s1.
What are the key properties of methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate has a molecular weight of 355.40 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate is sourced from PubChem (CID 24821559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).