5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole

C18H15ClFN3 — CID 141375969

IUPAC5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole
SMILESFc1[nH]nc2ccc(/C=C(/c3ncccc3Cl)C3CCC3)cc12
InChIInChI=1S/C18H15ClFN3/c19-15-5-2-8-21-17(15)13(12-3-1-4-12)9-11-6-7-16-14(10-11)18(20)23-22-16/h2,5-10,12H,1,3-4H2,(H,22,23)/b13-9+
InChIKeyWJWZOPLFYXRRRT-UKTHLTGXSA-N
MW327.79 g/mol
LogP5.09
Rot. Bonds3

About 5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole

5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole (PubChem CID 141375969) has the molecular formula C18H15ClFN3 and a molecular weight of 327.79 g/mol. Its IUPAC name is 5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole.

Molecular Properties

Compound Name5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole
PubChem CID141375969
Molecular FormulaC18H15ClFN3
Molecular Weight327.79 g/mol
Exact Mass327.09
IUPAC Name5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole
SMILESFc1[nH]nc2ccc(/C=C(/c3ncccc3Cl)C3CCC3)cc12
InChIInChI=1S/C18H15ClFN3/c19-15-5-2-8-21-17(15)13(12-3-1-4-12)9-11-6-7-16-14(10-11)18(20)23-22-16/h2,5-10,12H,1,3-4H2,(H,22,23)/b13-9+
InChIKeyWJWZOPLFYXRRRT-UKTHLTGXSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.79
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole?
The IUPAC name of 5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole (CID 141375969) is 5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole.
What is the SMILES notation for 5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole?
The canonical SMILES for 5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole is Fc1[nH]nc2ccc(/C=C(/c3ncccc3Cl)C3CCC3)cc12.
What is the InChIKey of 5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole?
The InChIKey is WJWZOPLFYXRRRT-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H15ClFN3/c19-15-5-2-8-21-17(15)13(12-3-1-4-12)9-11-6-7-16-14(10-11)18(20)23-22-16/h2,5-10,12H,1,3-4H2,(H,22,23)/b13-9+.
What are the key properties of 5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole?
5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole has a molecular weight of 327.79 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-chloro-2-pyridinyl)-2-cyclobutylethenyl]-3-fluoro-2H-indazole is sourced from PubChem (CID 141375969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).