3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

C16H20N6O — CID 75060858

IUPAC3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCC1CCN(C(=O)CC#N)CC1N(C)c1ccnc2ccnn12
InChIInChI=1S/C16H20N6O/c1-12-6-10-21(16(23)3-7-17)11-13(12)20(2)15-5-8-18-14-4-9-19-22(14)15/h4-5,8-9,12-13H,3,6,10-11H2,1-2H3
InChIKeyMFOAXXWLVUHHEF-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.32
Rot. Bonds3

About 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 75060858) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
PubChem CID75060858
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCC1CCN(C(=O)CC#N)CC1N(C)c1ccnc2ccnn12
InChIInChI=1S/C16H20N6O/c1-12-6-10-21(16(23)3-7-17)11-13(12)20(2)15-5-8-18-14-4-9-19-22(14)15/h4-5,8-9,12-13H,3,6,10-11H2,1-2H3
InChIKeyMFOAXXWLVUHHEF-UHFFFAOYSA-N
XLogP1.32
TPSA77.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile 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 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile (CID 75060858) is 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile is CC1CCN(C(=O)CC#N)CC1N(C)c1ccnc2ccnn12.
What is the InChIKey of 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is MFOAXXWLVUHHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12-6-10-21(16(23)3-7-17)11-13(12)20(2)15-5-8-18-14-4-9-19-22(14)15/h4-5,8-9,12-13H,3,6,10-11H2,1-2H3.
What are the key properties of 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile?
3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 312.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 75060858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).