2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid

C18H12N6O2 — CID 25057413

IUPAC2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
SMILESN#Cc1ccc2cnn(-c3cncc(-n4ccc(CC(=O)O)c4)n3)c2c1
InChIInChI=1S/C18H12N6O2/c19-7-12-1-2-14-8-21-24(15(14)5-12)17-10-20-9-16(22-17)23-4-3-13(11-23)6-18(25)26/h1-5,8-11H,6H2,(H,25,26)
InChIKeyNMQVKKSZWZUZOB-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.10
Rot. Bonds4

About 2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid

2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid (PubChem CID 25057413) has the molecular formula C18H12N6O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
PubChem CID25057413
Molecular FormulaC18H12N6O2
Molecular Weight344.33 g/mol
Exact Mass344.10
IUPAC Name2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
SMILESN#Cc1ccc2cnn(-c3cncc(-n4ccc(CC(=O)O)c4)n3)c2c1
InChIInChI=1S/C18H12N6O2/c19-7-12-1-2-14-8-21-24(15(14)5-12)17-10-20-9-16(22-17)23-4-3-13(11-23)6-18(25)26/h1-5,8-11H,6H2,(H,25,26)
InChIKeyNMQVKKSZWZUZOB-UHFFFAOYSA-N
XLogP2.10
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid (CID 25057413) is 2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid is N#Cc1ccc2cnn(-c3cncc(-n4ccc(CC(=O)O)c4)n3)c2c1.
What is the InChIKey of 2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The InChIKey is NMQVKKSZWZUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O2/c19-7-12-1-2-14-8-21-24(15(14)5-12)17-10-20-9-16(22-17)23-4-3-13(11-23)6-18(25)26/h1-5,8-11H,6H2,(H,25,26).
What are the key properties of 2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid has a molecular weight of 344.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(6-cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid is sourced from PubChem (CID 25057413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).