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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Related Compounds

(1-(6-(6-((1-methylethyl)amino)-1H-indazol-1-yl)pyrazin-2-yl)-1H-pyrrol-3-yl)acetic acid
CID 16224058
(1-{6-[6-(Cyclopentylamino)-1h-Indazol-1-Yl]pyrazin-2-Yl}-1h-Pyrrol-3-Yl)acetic Acid
CID 16224258
2-[1-[6-(6-Cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
CID 25057413
2-[1-[6-(3-Aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
CID 70684118
2-[1-(6-Indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
CID 70686257
2-[1-(6-Indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
CID 70686258
2-[1-[6-(6-Aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
CID 70694621
2-[1-[2-[(3-Benzyl-5-methyl-1,2,4-triazol-4-yl)methyl]-4-chlorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225493
2-[1-[4-Chloro-2-[(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225606
2-[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]acetic acid
CID 23644675
2-[1-[6-(6-Chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
CID 70684119
2-[1-(6-Indol-1-ylpyrazin-2-yl)indol-3-yl]acetic acid
CID 70686256

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).