2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid

C16H13F3N4O3 — CID 123540870

IUPAC2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid
SMILESO=C(O)Cn1cc2cc(NC(O)c3cccc(C(F)(F)F)n3)ccc2n1
InChIInChI=1S/C16H13F3N4O3/c17-16(18,19)13-3-1-2-12(21-13)15(26)20-10-4-5-11-9(6-10)7-23(22-11)8-14(24)25/h1-7,15,20,26H,8H2,(H,24,25)
InChIKeyBXZZPSMMCATXBF-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.64
Rot. Bonds5

About 2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid

2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid (PubChem CID 123540870) has the molecular formula C16H13F3N4O3 and a molecular weight of 366.30 g/mol. Its IUPAC name is 2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid
PubChem CID123540870
Molecular FormulaC16H13F3N4O3
Molecular Weight366.30 g/mol
Exact Mass366.09
IUPAC Name2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid
SMILESO=C(O)Cn1cc2cc(NC(O)c3cccc(C(F)(F)F)n3)ccc2n1
InChIInChI=1S/C16H13F3N4O3/c17-16(18,19)13-3-1-2-12(21-13)15(26)20-10-4-5-11-9(6-10)7-23(22-11)8-14(24)25/h1-7,15,20,26H,8H2,(H,24,25)
InChIKeyBXZZPSMMCATXBF-UHFFFAOYSA-N
XLogP2.64
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid
CID 159504177
N-[2-(2-oxo-2-thiomorpholin-4-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172980
N-[2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 150263020
N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182657
N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422962
N-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 122637050
N-[2-[2-[4-(2-methoxyacetyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172961
N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118173134
2-(5-aminoindazol-2-yl)acetic acid
CID 122637062
N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 123383131
N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118173128
formic acid;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 159944234

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid (CID 123540870) is 2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid is O=C(O)Cn1cc2cc(NC(O)c3cccc(C(F)(F)F)n3)ccc2n1.
What is the InChIKey of 2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid?
The InChIKey is BXZZPSMMCATXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3/c17-16(18,19)13-3-1-2-12(21-13)15(26)20-10-4-5-11-9(6-10)7-23(22-11)8-14(24)25/h1-7,15,20,26H,8H2,(H,24,25).
What are the key properties of 2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid?
2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid has a molecular weight of 366.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid is sourced from PubChem (CID 123540870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).