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

C22H18F2N4 — CID 156734102

IUPACN-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESC[C@H](Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H18F2N4/c1-14(15-10-16(23)12-17(24)11-15)26-19-6-8-22-20(13-19)21(27-28-22)7-5-18-4-2-3-9-25-18/h2-14,26H,1H3,(H,27,28)/b7-5+/t14-/m0/s1
InChIKeyZHOXAGNPCZTRBN-DYLGSBMWSA-N
MW376.41 g/mol
LogP5.58
Rot. Bonds5

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

N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (PubChem CID 156734102) has the molecular formula C22H18F2N4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
PubChem CID156734102
Molecular FormulaC22H18F2N4
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC NameN-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESC[C@H](Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H18F2N4/c1-14(15-10-16(23)12-17(24)11-15)26-19-6-8-22-20(13-19)21(27-28-22)7-5-18-4-2-3-9-25-18/h2-14,26H,1H3,(H,27,28)/b7-5+/t14-/m0/s1
InChIKeyZHOXAGNPCZTRBN-DYLGSBMWSA-N
XLogP5.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The IUPAC name of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (CID 156734102) is N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.
What is the SMILES notation for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The canonical SMILES for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is C[C@H](Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The InChIKey is ZHOXAGNPCZTRBN-DYLGSBMWSA-N. The full InChI is InChI=1S/C22H18F2N4/c1-14(15-10-16(23)12-17(24)11-15)26-19-6-8-22-20(13-19)21(27-28-22)7-5-18-4-2-3-9-25-18/h2-14,26H,1H3,(H,27,28)/b7-5+/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine has a molecular weight of 376.41 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is sourced from PubChem (CID 156734102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).