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

C14H10N6 — CID 90104994

IUPAC2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESc1cncc(-c2c[nH]c3ncc(-c4cn[nH]c4)nc23)c1
InChIInChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)
InChIKeyPSBXDBLDXUYIFG-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.41
Rot. Bonds2

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

2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 90104994) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID90104994
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESc1cncc(-c2c[nH]c3ncc(-c4cn[nH]c4)nc23)c1
InChIInChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)
InChIKeyPSBXDBLDXUYIFG-UHFFFAOYSA-N
XLogP2.41
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine (CID 90104994) is 2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine is c1cncc(-c2c[nH]c3ncc(-c4cn[nH]c4)nc23)c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is PSBXDBLDXUYIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19).
What are the key properties of 2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine?
2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 262.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-7-pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 90104994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).