1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide

C27H24N4O3 — CID 134136537

IUPAC1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)CC1=O
InChIInChI=1S/C27H24N4O3/c1-31-17-19(14-26(31)32)27(33)28-20-8-5-9-21(15-20)34-22-11-12-23-24(29-30-25(23)16-22)13-10-18-6-3-2-4-7-18/h2-13,15-16,19H,14,17H2,1H3,(H,28,33)(H,29,30)/b13-10+
InChIKeyFAQLSFGVTOXUAP-JLHYYAGUSA-N
MW452.51 g/mol
LogP4.94
Rot. Bonds6

About 1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide

1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide (PubChem CID 134136537) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide
PubChem CID134136537
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)CC1=O
InChIInChI=1S/C27H24N4O3/c1-31-17-19(14-26(31)32)27(33)28-20-8-5-9-21(15-20)34-22-11-12-23-24(29-30-25(23)16-22)13-10-18-6-3-2-4-7-18/h2-13,15-16,19H,14,17H2,1H3,(H,28,33)(H,29,30)/b13-10+
InChIKeyFAQLSFGVTOXUAP-JLHYYAGUSA-N
XLogP4.94
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide (CID 134136537) is 1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide is CN1CC(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)CC1=O.
What is the InChIKey of 1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is FAQLSFGVTOXUAP-JLHYYAGUSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-31-17-19(14-26(31)32)27(33)28-20-8-5-9-21(15-20)34-22-11-12-23-24(29-30-25(23)16-22)13-10-18-6-3-2-4-7-18/h2-13,15-16,19H,14,17H2,1H3,(H,28,33)(H,29,30)/b13-10+.
What are the key properties of 1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide?
1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134136537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).