2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid

C16H13N3O3 — CID 126623066

IUPAC2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid
SMILESCC(=O)c1nn(CC(=O)O)c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C16H13N3O3/c1-10(20)16-13-7-11(12-3-2-6-17-8-12)4-5-14(13)19(18-16)9-15(21)22/h2-8H,9H2,1H3,(H,21,22)
InChIKeyRHBBBKRXTCATSR-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.39
Rot. Bonds4

About 2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid

2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid (PubChem CID 126623066) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid
PubChem CID126623066
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid
SMILESCC(=O)c1nn(CC(=O)O)c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C16H13N3O3/c1-10(20)16-13-7-11(12-3-2-6-17-8-12)4-5-14(13)19(18-16)9-15(21)22/h2-8H,9H2,1H3,(H,21,22)
InChIKeyRHBBBKRXTCATSR-UHFFFAOYSA-N
XLogP2.39
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-acetyl-5-(2-methyl-1-oxidopyrimidin-1-ium-5-yl)indazol-1-yl]acetic acid
CID 126642959
2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
CID 126643108
2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid
CID 126623374
2-[3-acetyl-5-[2-(2-ethoxy-2-oxoethyl)pyrimidin-5-yl]indazol-1-yl]acetic acid
CID 126623404
2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid
CID 158416183
2-[3-acetyl-5-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrimidin-5-yl]indazol-1-yl]acetic acid
CID 158799900
2-[3-acetyl-5-(1H-thieno[3,2-c]pyrazol-3-yl)indazol-1-yl]acetic acid
CID 126623343
2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid
CID 126623337
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzyl-5-pyridin-3-ylindazole-3-carboxamide
CID 70969181
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174835202
1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone
CID 146415639

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid?
The IUPAC name of 2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid (CID 126623066) is 2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid is CC(=O)c1nn(CC(=O)O)c2ccc(-c3cccnc3)cc12.
What is the InChIKey of 2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid?
The InChIKey is RHBBBKRXTCATSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10(20)16-13-7-11(12-3-2-6-17-8-12)4-5-14(13)19(18-16)9-15(21)22/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid?
2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid has a molecular weight of 295.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid is sourced from PubChem (CID 126623066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).