N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine

C21H17FN4 — CID 156734104

IUPACN-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESFc1ccc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)cc1
InChIInChI=1S/C21H17FN4/c22-16-6-4-15(5-7-16)14-24-18-9-11-21-19(13-18)20(25-26-21)10-8-17-3-1-2-12-23-17/h1-13,24H,14H2,(H,25,26)/b10-8+
InChIKeyUWWDGFCKMLJGIQ-CSKARUKUSA-N
MW344.39 g/mol
LogP4.88
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine

N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (PubChem CID 156734104) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
PubChem CID156734104
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESFc1ccc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)cc1
InChIInChI=1S/C21H17FN4/c22-16-6-4-15(5-7-16)14-24-18-9-11-21-19(13-18)20(25-26-21)10-8-17-3-1-2-12-23-17/h1-13,24H,14H2,(H,25,26)/b10-8+
InChIKeyUWWDGFCKMLJGIQ-CSKARUKUSA-N
XLogP4.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (CID 156734104) is N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is Fc1ccc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The InChIKey is UWWDGFCKMLJGIQ-CSKARUKUSA-N. The full InChI is InChI=1S/C21H17FN4/c22-16-6-4-15(5-7-16)14-24-18-9-11-21-19(13-18)20(25-26-21)10-8-17-3-1-2-12-23-17/h1-13,24H,14H2,(H,25,26)/b10-8+.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine has a molecular weight of 344.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is sourced from PubChem (CID 156734104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).