N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine

C23H19F2N3 — CID 156734075

IUPACN-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine
SMILESC[C@@H](Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C23H19F2N3/c1-15(17-11-18(24)13-19(25)12-17)26-20-8-10-23-21(14-20)22(27-28-23)9-7-16-5-3-2-4-6-16/h2-15,26H,1H3,(H,27,28)/b9-7+/t15-/m1/s1
InChIKeyDDBGMPFBLOFBCR-LOWQCSRCSA-N
MW375.42 g/mol
LogP6.18
Rot. Bonds5

About N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine

N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine (PubChem CID 156734075) has the molecular formula C23H19F2N3 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine
PubChem CID156734075
Molecular FormulaC23H19F2N3
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine
SMILESC[C@@H](Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C23H19F2N3/c1-15(17-11-18(24)13-19(25)12-17)26-20-8-10-23-21(14-20)22(27-28-23)9-7-16-5-3-2-4-6-16/h2-15,26H,1H3,(H,27,28)/b9-7+/t15-/m1/s1
InChIKeyDDBGMPFBLOFBCR-LOWQCSRCSA-N
XLogP6.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine?
The IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine (CID 156734075) is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine is C[C@@H](Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine?
The InChIKey is DDBGMPFBLOFBCR-LOWQCSRCSA-N. The full InChI is InChI=1S/C23H19F2N3/c1-15(17-11-18(24)13-19(25)12-17)26-20-8-10-23-21(14-20)22(27-28-23)9-7-16-5-3-2-4-6-16/h2-15,26H,1H3,(H,27,28)/b9-7+/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine?
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine has a molecular weight of 375.42 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine is sourced from PubChem (CID 156734075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).