2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide

C21H17FN4O — CID 90096296

IUPAC2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
SMILESCc1cc(-c2ncccc2-c2ccc3c(cnn3CC(N)=O)c2)ccc1F
InChIInChI=1S/C21H17FN4O/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-25-26(19)12-20(23)27/h2-11H,12H2,1H3,(H2,23,27)
InChIKeyXBBQAZNOJIAYLZ-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.70
Rot. Bonds4

About 2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide

2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide (PubChem CID 90096296) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
PubChem CID90096296
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
SMILESCc1cc(-c2ncccc2-c2ccc3c(cnn3CC(N)=O)c2)ccc1F
InChIInChI=1S/C21H17FN4O/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-25-26(19)12-20(23)27/h2-11H,12H2,1H3,(H2,23,27)
InChIKeyXBBQAZNOJIAYLZ-UHFFFAOYSA-N
XLogP3.70
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide?
The IUPAC name of 2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide (CID 90096296) is 2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide?
The canonical SMILES for 2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide is Cc1cc(-c2ncccc2-c2ccc3c(cnn3CC(N)=O)c2)ccc1F.
What is the InChIKey of 2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide?
The InChIKey is XBBQAZNOJIAYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-25-26(19)12-20(23)27/h2-11H,12H2,1H3,(H2,23,27).
What are the key properties of 2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide?
2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide is sourced from PubChem (CID 90096296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).