2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid

C16H12N4O3S — CID 126623343

IUPAC2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid
SMILESCC(=O)c1nn(CC(=O)O)c2ccc(-c3n[nH]c4ccsc34)cc12
InChIInChI=1S/C16H12N4O3S/c1-8(21)14-10-6-9(15-16-11(17-18-15)4-5-24-16)2-3-12(10)20(19-14)7-13(22)23/h2-6H,7H2,1H3,(H,17,18)(H,22,23)
InChIKeyMXKYGJYDHUVUEP-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.93
Rot. Bonds4

About 2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid

2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid (PubChem CID 126623343) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid
PubChem CID126623343
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid
SMILESCC(=O)c1nn(CC(=O)O)c2ccc(-c3n[nH]c4ccsc34)cc12
InChIInChI=1S/C16H12N4O3S/c1-8(21)14-10-6-9(15-16-11(17-18-15)4-5-24-16)2-3-12(10)20(19-14)7-13(22)23/h2-6H,7H2,1H3,(H,17,18)(H,22,23)
InChIKeyMXKYGJYDHUVUEP-UHFFFAOYSA-N
XLogP2.93
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid (CID 126623343) is 2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid is CC(=O)c1nn(CC(=O)O)c2ccc(-c3n[nH]c4ccsc34)cc12.
What is the InChIKey of 2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid?
The InChIKey is MXKYGJYDHUVUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c1-8(21)14-10-6-9(15-16-11(17-18-15)4-5-24-16)2-3-12(10)20(19-14)7-13(22)23/h2-6H,7H2,1H3,(H,17,18)(H,22,23).
What are the key properties of 2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid?
2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid has a molecular weight of 340.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid is sourced from PubChem (CID 126623343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).