N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine

C21H16F2N4 — CID 156734125

IUPACN-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine
SMILESCN(c1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1
InChIInChI=1S/C21H16F2N4/c1-27(18-11-14(22)10-15(23)12-18)17-6-8-21-19(13-17)20(25-26-21)7-5-16-4-2-3-9-24-16/h2-13H,1H3,(H,25,26)/b7-5+
InChIKeyUQLJOQKYBXUIFI-FNORWQNLSA-N
MW362.38 g/mol
LogP5.17
Rot. Bonds4

About N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine

N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine (PubChem CID 156734125) has the molecular formula C21H16F2N4 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine
PubChem CID156734125
Molecular FormulaC21H16F2N4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC NameN-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine
SMILESCN(c1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1
InChIInChI=1S/C21H16F2N4/c1-27(18-11-14(22)10-15(23)12-18)17-6-8-21-19(13-17)20(25-26-21)7-5-16-4-2-3-9-24-16/h2-13H,1H3,(H,25,26)/b7-5+
InChIKeyUQLJOQKYBXUIFI-FNORWQNLSA-N
XLogP5.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine?
The IUPAC name of N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine (CID 156734125) is N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine is CN(c1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1.
What is the InChIKey of N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine?
The InChIKey is UQLJOQKYBXUIFI-FNORWQNLSA-N. The full InChI is InChI=1S/C21H16F2N4/c1-27(18-11-14(22)10-15(23)12-18)17-6-8-21-19(13-17)20(25-26-21)7-5-16-4-2-3-9-24-16/h2-13H,1H3,(H,25,26)/b7-5+.
What are the key properties of N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine?
N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine has a molecular weight of 362.38 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine is sourced from PubChem (CID 156734125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).