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

C22H18F2N4 — CID 156734078

IUPACN-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine
SMILESCN(Cc1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1
InChIInChI=1S/C22H18F2N4/c1-28(14-15-10-16(23)12-17(24)11-15)19-6-8-22-20(13-19)21(26-27-22)7-5-18-4-2-3-9-25-18/h2-13H,14H2,1H3,(H,26,27)/b7-5+
InChIKeyHDMQHDILMFAMEX-FNORWQNLSA-N
MW376.41 g/mol
LogP5.04
Rot. Bonds5

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

N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine (PubChem CID 156734078) has the molecular formula C22H18F2N4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine
PubChem CID156734078
Molecular FormulaC22H18F2N4
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC NameN-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine
SMILESCN(Cc1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1
InChIInChI=1S/C22H18F2N4/c1-28(14-15-10-16(23)12-17(24)11-15)19-6-8-22-20(13-19)21(26-27-22)7-5-18-4-2-3-9-25-18/h2-13H,14H2,1H3,(H,26,27)/b7-5+
InChIKeyHDMQHDILMFAMEX-FNORWQNLSA-N
XLogP5.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.04
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)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine (CID 156734078) is N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine is CN(Cc1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine?
The InChIKey is HDMQHDILMFAMEX-FNORWQNLSA-N. The full InChI is InChI=1S/C22H18F2N4/c1-28(14-15-10-16(23)12-17(24)11-15)19-6-8-22-20(13-19)21(26-27-22)7-5-18-4-2-3-9-25-18/h2-13H,14H2,1H3,(H,26,27)/b7-5+.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine?
N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine has a molecular weight of 376.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine is sourced from PubChem (CID 156734078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).