5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole

C22H17F2N3 — CID 156734114

IUPAC5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
SMILESFc1cc(F)cc(CCc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C22H17F2N3/c23-17-11-16(12-18(24)14-17)5-4-15-6-8-21-20(13-15)22(27-26-21)9-7-19-3-1-2-10-25-19/h1-3,6-14H,4-5H2,(H,26,27)/b9-7+
InChIKeyQTSGFRRREQFWGK-VQHVLOKHSA-N
MW361.40 g/mol
LogP5.19
Rot. Bonds5

About 5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole

5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (PubChem CID 156734114) has the molecular formula C22H17F2N3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.

Molecular Properties

Compound Name5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
PubChem CID156734114
Molecular FormulaC22H17F2N3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
SMILESFc1cc(F)cc(CCc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C22H17F2N3/c23-17-11-16(12-18(24)14-17)5-4-15-6-8-21-20(13-15)22(27-26-21)9-7-19-3-1-2-10-25-19/h1-3,6-14H,4-5H2,(H,26,27)/b9-7+
InChIKeyQTSGFRRREQFWGK-VQHVLOKHSA-N
XLogP5.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The IUPAC name of 5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (CID 156734114) is 5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.
What is the SMILES notation for 5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The canonical SMILES for 5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is Fc1cc(F)cc(CCc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of 5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The InChIKey is QTSGFRRREQFWGK-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H17F2N3/c23-17-11-16(12-18(24)14-17)5-4-15-6-8-21-20(13-15)22(27-26-21)9-7-19-3-1-2-10-25-19/h1-3,6-14H,4-5H2,(H,26,27)/b9-7+.
What are the key properties of 5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole has a molecular weight of 361.40 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is sourced from PubChem (CID 156734114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).