N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H19N5O — CID 54673911

IUPACN-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(C)(C)C#N
InChIInChI=1S/C16H19N5O/c1-9(16(2,3)8-17)20-15(22)11-6-18-14-13(11)21-12(7-19-14)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3,(H,18,19)(H,20,22)/t9-/m0/s1
InChIKeyKWQZARKJYBFQDG-VIFPVBQESA-N
MW297.36 g/mol
LogP2.50
Rot. Bonds4

About N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54673911) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54673911
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(C)(C)C#N
InChIInChI=1S/C16H19N5O/c1-9(16(2,3)8-17)20-15(22)11-6-18-14-13(11)21-12(7-19-14)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3,(H,18,19)(H,20,22)/t9-/m0/s1
InChIKeyKWQZARKJYBFQDG-VIFPVBQESA-N
XLogP2.50
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54673911) is N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(C)(C)C#N.
What is the InChIKey of N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KWQZARKJYBFQDG-VIFPVBQESA-N. The full InChI is InChI=1S/C16H19N5O/c1-9(16(2,3)8-17)20-15(22)11-6-18-14-13(11)21-12(7-19-14)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3,(H,18,19)(H,20,22)/t9-/m0/s1.
What are the key properties of N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyano-3-methylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54673911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).