N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H21N5O — CID 58522109

IUPACN-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)[C@H](CC#N)NC(=O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C17H21N5O/c1-17(2,3)13(6-7-18)22-16(23)11-8-19-15-14(11)21-12(9-20-15)10-4-5-10/h8-10,13H,4-6H2,1-3H3,(H,19,20)(H,22,23)/t13-/m0/s1
InChIKeyILZWJZWPXHZEFD-ZDUSSCGKSA-N
MW311.39 g/mol
LogP2.89
Rot. Bonds4

About N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522109) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522109
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)[C@H](CC#N)NC(=O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C17H21N5O/c1-17(2,3)13(6-7-18)22-16(23)11-8-19-15-14(11)21-12(9-20-15)10-4-5-10/h8-10,13H,4-6H2,1-3H3,(H,19,20)(H,22,23)/t13-/m0/s1
InChIKeyILZWJZWPXHZEFD-ZDUSSCGKSA-N
XLogP2.89
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522109) is N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)[C@H](CC#N)NC(=O)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ILZWJZWPXHZEFD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O/c1-17(2,3)13(6-7-18)22-16(23)11-8-19-15-14(11)21-12(9-20-15)10-4-5-10/h8-10,13H,4-6H2,1-3H3,(H,19,20)(H,22,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).