2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide

C25H21N5O3 — CID 134144114

IUPAC2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)N1
InChIInChI=1S/C25H21N5O3/c31-24(23-15-26-25(32)28-23)27-17-7-4-8-18(13-17)33-19-10-11-20-21(29-30-22(20)14-19)12-9-16-5-2-1-3-6-16/h1-14,23H,15H2,(H,27,31)(H,29,30)(H2,26,28,32)/b12-9+
InChIKeyKIPAPGYYFITJDN-FMIVXFBMSA-N
MW439.48 g/mol
LogP4.15
Rot. Bonds6

About 2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide

2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide (PubChem CID 134144114) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide
PubChem CID134144114
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)N1
InChIInChI=1S/C25H21N5O3/c31-24(23-15-26-25(32)28-23)27-17-7-4-8-18(13-17)33-19-10-11-20-21(29-30-22(20)14-19)12-9-16-5-2-1-3-6-16/h1-14,23H,15H2,(H,27,31)(H,29,30)(H2,26,28,32)/b12-9+
InChIKeyKIPAPGYYFITJDN-FMIVXFBMSA-N
XLogP4.15
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide?
The IUPAC name of 2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide (CID 134144114) is 2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide is O=C1NCC(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)N1.
What is the InChIKey of 2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide?
The InChIKey is KIPAPGYYFITJDN-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H21N5O3/c31-24(23-15-26-25(32)28-23)27-17-7-4-8-18(13-17)33-19-10-11-20-21(29-30-22(20)14-19)12-9-16-5-2-1-3-6-16/h1-14,23H,15H2,(H,27,31)(H,29,30)(H2,26,28,32)/b12-9+.
What are the key properties of 2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide?
2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]imidazolidine-4-carboxamide is sourced from PubChem (CID 134144114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).