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

C21H14F2N4O — CID 156734148

IUPACN-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1ccc2n[nH]c(/C=C/c3ccccn3)c2c1
InChIInChI=1S/C21H14F2N4O/c22-14-10-15(23)12-17(11-14)25-21(28)13-4-6-19-18(9-13)20(27-26-19)7-5-16-3-1-2-8-24-16/h1-12H,(H,25,28)(H,26,27)/b7-5+
InChIKeyBLIZGFRNWCLCQF-FNORWQNLSA-N
MW376.37 g/mol
LogP4.66
Rot. Bonds4

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

N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide (PubChem CID 156734148) has the molecular formula C21H14F2N4O and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide
PubChem CID156734148
Molecular FormulaC21H14F2N4O
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC NameN-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1ccc2n[nH]c(/C=C/c3ccccn3)c2c1
InChIInChI=1S/C21H14F2N4O/c22-14-10-15(23)12-17(11-14)25-21(28)13-4-6-19-18(9-13)20(27-26-19)7-5-16-3-1-2-8-24-16/h1-12H,(H,25,28)(H,26,27)/b7-5+
InChIKeyBLIZGFRNWCLCQF-FNORWQNLSA-N
XLogP4.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide (CID 156734148) is N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1ccc2n[nH]c(/C=C/c3ccccn3)c2c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide?
The InChIKey is BLIZGFRNWCLCQF-FNORWQNLSA-N. The full InChI is InChI=1S/C21H14F2N4O/c22-14-10-15(23)12-17(11-14)25-21(28)13-4-6-19-18(9-13)20(27-26-19)7-5-16-3-1-2-8-24-16/h1-12H,(H,25,28)(H,26,27)/b7-5+.
What are the key properties of N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide?
N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 156734148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).