2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine

C13H9N7 — CID 122193407

IUPAC2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESc1ncc(-c2c[nH]c3ncc(-c4cn[nH]c4)nc23)cn1
InChIInChI=1S/C13H9N7/c1-8(2-15-7-14-1)10-5-16-13-12(10)20-11(6-17-13)9-3-18-19-4-9/h1-7H,(H,16,17)(H,18,19)
InChIKeyNGYBZZWTYGSIEB-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.80
Rot. Bonds2

About 2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine

2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 122193407) has the molecular formula C13H9N7 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID122193407
Molecular FormulaC13H9N7
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC Name2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESc1ncc(-c2c[nH]c3ncc(-c4cn[nH]c4)nc23)cn1
InChIInChI=1S/C13H9N7/c1-8(2-15-7-14-1)10-5-16-13-12(10)20-11(6-17-13)9-3-18-19-4-9/h1-7H,(H,16,17)(H,18,19)
InChIKeyNGYBZZWTYGSIEB-UHFFFAOYSA-N
XLogP1.80
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine (CID 122193407) is 2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine is c1ncc(-c2c[nH]c3ncc(-c4cn[nH]c4)nc23)cn1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is NGYBZZWTYGSIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7/c1-8(2-15-7-14-1)10-5-16-13-12(10)20-11(6-17-13)9-3-18-19-4-9/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine?
2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 263.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-7-pyrimidin-5-yl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 122193407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).