2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H19F3N4O — CID 76811916

IUPAC2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(C)(C)C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-8(15(2,3)16(17,18)19)22-14(24)10-6-20-13-12(10)23-11(7-21-13)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyABXRMBLUTRVCCF-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.54
Rot. Bonds4

About 2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 76811916) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID76811916
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(C)(C)C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-8(15(2,3)16(17,18)19)22-14(24)10-6-20-13-12(10)23-11(7-21-13)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyABXRMBLUTRVCCF-UHFFFAOYSA-N
XLogP3.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopropyl-N-[(2s)-3-Hydroxy-3-Methylbutan-2-Yl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 44192904
2-Cyclopropyl-N-[(2r)-1-Oxo-1-(Piperidin-1-Yl)propan-2-Yl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 53385838
2-Cyclopropyl-N-[(2s)-3,3-Dimethylbutan-2-Yl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 54673259
2-Cyclopropyl-N-[(2r)-3-Hydroxy-3-Methylbutan-2-Yl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 54674990
N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386309
2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-((S)-3-cyano-pyrrolidin-1-yl)-1-cyclopropyl-2-oxo-ethyl]-amide
CID 53386418
2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-((R)-3-cyano-pyrrolidin-1-yl)-1-cyclopropyl-2-oxo-ethyl]-amide
CID 53386421
Jak-IN-1
CID 54589404
2-cyclopropyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53385837
N-[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53385938
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53385939
2-cyclopropyl-N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53389820

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 76811916) is 2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(C)(C)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ABXRMBLUTRVCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-8(15(2,3)16(17,18)19)22-14(24)10-6-20-13-12(10)23-11(7-21-13)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,20,21)(H,22,24).
What are the key properties of 2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 76811916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).