2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid

C17H12FN5O3 — CID 126623049

IUPAC2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
SMILESCC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc4cc(F)nn4c3)cc12
InChIInChI=1S/C17H12FN5O3/c1-9(24)17-12-4-10(2-3-13(12)22(21-17)8-16(25)26)11-6-19-15-5-14(18)20-23(15)7-11/h2-7H,8H2,1H3,(H,25,26)
InChIKeyDLDHOLZXEJBGKF-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.17
Rot. Bonds4

About 2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid

2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid (PubChem CID 126623049) has the molecular formula C17H12FN5O3 and a molecular weight of 353.31 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
PubChem CID126623049
Molecular FormulaC17H12FN5O3
Molecular Weight353.31 g/mol
Exact Mass353.09
IUPAC Name2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
SMILESCC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc4cc(F)nn4c3)cc12
InChIInChI=1S/C17H12FN5O3/c1-9(24)17-12-4-10(2-3-13(12)22(21-17)8-16(25)26)11-6-19-15-5-14(18)20-23(15)7-11/h2-7H,8H2,1H3,(H,25,26)
InChIKeyDLDHOLZXEJBGKF-UHFFFAOYSA-N
XLogP2.17
TPSA102.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid (CID 126623049) is 2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid is CC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc4cc(F)nn4c3)cc12.
What is the InChIKey of 2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?
The InChIKey is DLDHOLZXEJBGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O3/c1-9(24)17-12-4-10(2-3-13(12)22(21-17)8-16(25)26)11-6-19-15-5-14(18)20-23(15)7-11/h2-7H,8H2,1H3,(H,25,26).
What are the key properties of 2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?
2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid has a molecular weight of 353.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(2-fluoropyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid is sourced from PubChem (CID 126623049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).