N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H26N8O2 — CID 58438620

IUPACN-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(C)(C#N)C4)C(C)(C)C)c3n2)cn1
InChIInChI=1S/C22H26N8O2/c1-21(2,3)17(20(32)30-11-22(4,10-23)12-30)28-19(31)14-7-24-18-16(14)27-15(8-25-18)13-6-26-29(5)9-13/h6-9,17H,11-12H2,1-5H3,(H,24,25)(H,28,31)/t17-/m0/s1
InChIKeyFDIDBYBZCMSASX-KRWDZBQOSA-N
MW434.50 g/mol
LogP1.87
Rot. Bonds4

About N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58438620) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58438620
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC NameN-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(C)(C#N)C4)C(C)(C)C)c3n2)cn1
InChIInChI=1S/C22H26N8O2/c1-21(2,3)17(20(32)30-11-22(4,10-23)12-30)28-19(31)14-7-24-18-16(14)27-15(8-25-18)13-6-26-29(5)9-13/h6-9,17H,11-12H2,1-5H3,(H,24,25)(H,28,31)/t17-/m0/s1
InChIKeyFDIDBYBZCMSASX-KRWDZBQOSA-N
XLogP1.87
TPSA132.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386252
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125189
N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58438606
N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386043
N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386153
2-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]anilino]acetonitrile
CID 141466979
2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540773
N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522109
3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile
CID 141466978
2-[5-(4-cyanopiperidine-1-carbonyl)thiophen-2-yl]-N-(3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 76811877
N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-[5-(piperidine-1-carbonyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522367
N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 78049786

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58438620) is N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(C)(C#N)C4)C(C)(C)C)c3n2)cn1.
What is the InChIKey of N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is FDIDBYBZCMSASX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-21(2,3)17(20(32)30-11-22(4,10-23)12-30)28-19(31)14-7-24-18-16(14)27-15(8-25-18)13-6-26-29(5)9-13/h6-9,17H,11-12H2,1-5H3,(H,24,25)(H,28,31)/t17-/m0/s1.
What are the key properties of N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58438620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).