2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C13H16N4O — CID 54672927

IUPAC2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C13H16N4O/c1-7(2)16-13(18)9-5-14-12-11(9)17-10(6-15-12)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyHJUGTIXMQHUMKG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.97
Rot. Bonds3

About 2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54672927) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54672927
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C13H16N4O/c1-7(2)16-13(18)9-5-14-12-11(9)17-10(6-15-12)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyHJUGTIXMQHUMKG-UHFFFAOYSA-N
XLogP1.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54672927) is 2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HJUGTIXMQHUMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-7(2)16-13(18)9-5-14-12-11(9)17-10(6-15-12)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54672927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).