5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile

C17H21N7O — CID 129004599

IUPAC5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](CNc2cnc(C#N)cn2)CC(=O)N1C
InChIInChI=1S/C17H21N7O/c1-10-16(11(2)24(4)22-10)17-12(5-15(25)23(17)3)7-20-14-9-19-13(6-18)8-21-14/h8-9,12,17H,5,7H2,1-4H3,(H,20,21)/t12-,17+/m0/s1
InChIKeyAFEHSZYTLWCJQW-YVEFUNNKSA-N
MW339.40 g/mol
LogP1.33
Rot. Bonds4

About 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile

5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile (PubChem CID 129004599) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
PubChem CID129004599
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](CNc2cnc(C#N)cn2)CC(=O)N1C
InChIInChI=1S/C17H21N7O/c1-10-16(11(2)24(4)22-10)17-12(5-15(25)23(17)3)7-20-14-9-19-13(6-18)8-21-14/h8-9,12,17H,5,7H2,1-4H3,(H,20,21)/t12-,17+/m0/s1
InChIKeyAFEHSZYTLWCJQW-YVEFUNNKSA-N
XLogP1.33
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile 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 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile (CID 129004599) is 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile is Cc1nn(C)c(C)c1[C@H]1[C@H](CNc2cnc(C#N)cn2)CC(=O)N1C.
What is the InChIKey of 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is AFEHSZYTLWCJQW-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H21N7O/c1-10-16(11(2)24(4)22-10)17-12(5-15(25)23(17)3)7-20-14-9-19-13(6-18)8-21-14/h8-9,12,17H,5,7H2,1-4H3,(H,20,21)/t12-,17+/m0/s1.
What are the key properties of 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile?
5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R,3S)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 129004599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).