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

C21H16F2N4 — CID 156734071

IUPACN-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESFc1cc(F)cc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C21H16F2N4/c22-15-9-14(10-16(23)11-15)13-25-18-5-7-21-19(12-18)20(26-27-21)6-4-17-3-1-2-8-24-17/h1-12,25H,13H2,(H,26,27)/b6-4+
InChIKeyQNTSEJJXGJAWBN-GQCTYLIASA-N
MW362.38 g/mol
LogP5.02
Rot. Bonds5

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

N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (PubChem CID 156734071) has the molecular formula C21H16F2N4 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
PubChem CID156734071
Molecular FormulaC21H16F2N4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESFc1cc(F)cc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C21H16F2N4/c22-15-9-14(10-16(23)11-15)13-25-18-5-7-21-19(12-18)20(26-27-21)6-4-17-3-1-2-8-24-17/h1-12,25H,13H2,(H,26,27)/b6-4+
InChIKeyQNTSEJJXGJAWBN-GQCTYLIASA-N
XLogP5.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (CID 156734071) is N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is Fc1cc(F)cc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The InChIKey is QNTSEJJXGJAWBN-GQCTYLIASA-N. The full InChI is InChI=1S/C21H16F2N4/c22-15-9-14(10-16(23)11-15)13-25-18-5-7-21-19(12-18)20(26-27-21)6-4-17-3-1-2-8-24-17/h1-12,25H,13H2,(H,26,27)/b6-4+.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine has a molecular weight of 362.38 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is sourced from PubChem (CID 156734071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).