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

C17H12ClN5O2 — CID 70688379

IUPAC2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(-c2cncc(-n3nc(Cl)c4ccccc43)n2)c1
InChIInChI=1S/C17H12ClN5O2/c18-17-12-3-1-2-4-13(12)23(21-17)15-9-19-8-14(20-15)22-6-5-11(10-22)7-16(24)25/h1-6,8-10H,7H2,(H,24,25)
InChIKeyAHSXYHSELQONKX-UHFFFAOYSA-N
MW353.77 g/mol
LogP2.89
Rot. Bonds4

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

2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid (PubChem CID 70688379) has the molecular formula C17H12ClN5O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
PubChem CID70688379
Molecular FormulaC17H12ClN5O2
Molecular Weight353.77 g/mol
Exact Mass353.07
IUPAC Name2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(-c2cncc(-n3nc(Cl)c4ccccc43)n2)c1
InChIInChI=1S/C17H12ClN5O2/c18-17-12-3-1-2-4-13(12)23(21-17)15-9-19-8-14(20-15)22-6-5-11(10-22)7-16(24)25/h1-6,8-10H,7H2,(H,24,25)
InChIKeyAHSXYHSELQONKX-UHFFFAOYSA-N
XLogP2.89
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid (CID 70688379) is 2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid is O=C(O)Cc1ccn(-c2cncc(-n3nc(Cl)c4ccccc43)n2)c1.
What is the InChIKey of 2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The InChIKey is AHSXYHSELQONKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2/c18-17-12-3-1-2-4-13(12)23(21-17)15-9-19-8-14(20-15)22-6-5-11(10-22)7-16(24)25/h1-6,8-10H,7H2,(H,24,25).
What are the key properties of 2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid has a molecular weight of 353.77 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(3-chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid is sourced from PubChem (CID 70688379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).