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

C14H18N4O — CID 54673258

IUPACN-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC[C@H](C)NC(=O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C14H18N4O/c1-3-8(2)17-14(19)10-6-15-13-12(10)18-11(7-16-13)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,16)(H,17,19)/t8-/m0/s1
InChIKeyVAZJXEJUMZTDQP-QMMMGPOBSA-N
MW258.32 g/mol
LogP2.36
Rot. Bonds4

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

N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54673258) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54673258
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC[C@H](C)NC(=O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C14H18N4O/c1-3-8(2)17-14(19)10-6-15-13-12(10)18-11(7-16-13)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,16)(H,17,19)/t8-/m0/s1
InChIKeyVAZJXEJUMZTDQP-QMMMGPOBSA-N
XLogP2.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54673258) is N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC[C@H](C)NC(=O)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is VAZJXEJUMZTDQP-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-8(2)17-14(19)10-6-15-13-12(10)18-11(7-16-13)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,16)(H,17,19)/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54673258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).