N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide

C24H19F2N3O2 — CID 59797007

IUPACN-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide
SMILESO=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C(CO)c1ccccc1
InChIInChI=1S/C24H19F2N3O2/c25-17-9-6-15(7-10-17)8-11-21-18-12-23(20(26)13-22(18)29-28-21)27-24(31)19(14-30)16-4-2-1-3-5-16/h1-13,19,30H,14H2,(H,27,31)(H,28,29)/b11-8+
InChIKeySSHKKXSTVYPARK-DHZHZOJOSA-N
MW419.43 g/mol
LogP4.73
Rot. Bonds6

About N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide

N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide (PubChem CID 59797007) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide
PubChem CID59797007
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC NameN-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide
SMILESO=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C(CO)c1ccccc1
InChIInChI=1S/C24H19F2N3O2/c25-17-9-6-15(7-10-17)8-11-21-18-12-23(20(26)13-22(18)29-28-21)27-24(31)19(14-30)16-4-2-1-3-5-16/h1-13,19,30H,14H2,(H,27,31)(H,28,29)/b11-8+
InChIKeySSHKKXSTVYPARK-DHZHZOJOSA-N
XLogP4.73
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide?
The IUPAC name of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide (CID 59797007) is N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide.
What is the SMILES notation for N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide?
The canonical SMILES for N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide is O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C(CO)c1ccccc1.
What is the InChIKey of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide?
The InChIKey is SSHKKXSTVYPARK-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-17-9-6-15(7-10-17)8-11-21-18-12-23(20(26)13-22(18)29-28-21)27-24(31)19(14-30)16-4-2-1-3-5-16/h1-13,19,30H,14H2,(H,27,31)(H,28,29)/b11-8+.
What are the key properties of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide?
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide has a molecular weight of 419.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 59797007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).