2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid

C20H16FN5O3 — CID 160602938

IUPAC2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid
SMILESCn1cc(-c2cccc(C(=O)Cc3cc4cn(CC(=O)O)nc4cc3F)n2)cn1
InChIInChI=1S/C20H16FN5O3/c1-25-9-14(8-22-25)16-3-2-4-17(23-16)19(27)6-12-5-13-10-26(11-20(28)29)24-18(13)7-15(12)21/h2-5,7-10H,6,11H2,1H3,(H,28,29)
InChIKeyRENAGWQWHBQZNU-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.48
Rot. Bonds6

About 2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid

2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid (PubChem CID 160602938) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid
PubChem CID160602938
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC Name2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid
SMILESCn1cc(-c2cccc(C(=O)Cc3cc4cn(CC(=O)O)nc4cc3F)n2)cn1
InChIInChI=1S/C20H16FN5O3/c1-25-9-14(8-22-25)16-3-2-4-17(23-16)19(27)6-12-5-13-10-26(11-20(28)29)24-18(13)7-15(12)21/h2-5,7-10H,6,11H2,1H3,(H,28,29)
InChIKeyRENAGWQWHBQZNU-UHFFFAOYSA-N
XLogP2.48
TPSA102.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
2-[5-[2-(6-bromo-2-pyridinyl)-2-oxoethyl]-6-methoxyindazol-2-yl]acetic acid
CID 149455991
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 118172979
1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone
CID 158932992
2-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethanone
CID 147437195
2-(7-fluoroindazol-2-yl)acetic acid
CID 83397789
3-[6-methoxy-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]-2-methylpropanoic acid
CID 147566197
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 144865207
2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 90398408
2-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 161363503
2-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158362016
[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone
CID 110151354

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid (CID 160602938) is 2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid is Cn1cc(-c2cccc(C(=O)Cc3cc4cn(CC(=O)O)nc4cc3F)n2)cn1.
What is the InChIKey of 2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid?
The InChIKey is RENAGWQWHBQZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c1-25-9-14(8-22-25)16-3-2-4-17(23-16)19(27)6-12-5-13-10-26(11-20(28)29)24-18(13)7-15(12)21/h2-5,7-10H,6,11H2,1H3,(H,28,29).
What are the key properties of 2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid?
2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid has a molecular weight of 393.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid is sourced from PubChem (CID 160602938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).