N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide

C28H24F2N4O2 — CID 138684899

IUPACN-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1cccc(F)c1)C1CCC1
InChIInChI=1S/C28H24F2N4O2/c29-20-7-9-22(10-8-20)34-25-12-11-23(14-19(25)16-31-34)33-26(35)15-24(32-28(36)17-3-1-4-17)27(33)18-5-2-6-21(30)13-18/h2,5-14,16-17,24,27H,1,3-4,15H2,(H,32,36)/t24-,27+/m0/s1
InChIKeySVVBAEFJAZAZLN-RPLLCQBOSA-N
MW486.52 g/mol
LogP5.07
Rot. Bonds5

About N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide

N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 138684899) has the molecular formula C28H24F2N4O2 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID138684899
Molecular FormulaC28H24F2N4O2
Molecular Weight486.52 g/mol
Exact Mass486.19
IUPAC NameN-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1cccc(F)c1)C1CCC1
InChIInChI=1S/C28H24F2N4O2/c29-20-7-9-22(10-8-20)34-25-12-11-23(14-19(25)16-31-34)33-26(35)15-24(32-28(36)17-3-1-4-17)27(33)18-5-2-6-21(30)13-18/h2,5-14,16-17,24,27H,1,3-4,15H2,(H,32,36)/t24-,27+/m0/s1
InChIKeySVVBAEFJAZAZLN-RPLLCQBOSA-N
XLogP5.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide 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-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide (CID 138684899) is N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide is O=C(N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1cccc(F)c1)C1CCC1.
What is the InChIKey of N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is SVVBAEFJAZAZLN-RPLLCQBOSA-N. The full InChI is InChI=1S/C28H24F2N4O2/c29-20-7-9-22(10-8-20)34-25-12-11-23(14-19(25)16-31-34)33-26(35)15-24(32-28(36)17-3-1-4-17)27(33)18-5-2-6-21(30)13-18/h2,5-14,16-17,24,27H,1,3-4,15H2,(H,32,36)/t24-,27+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide?
N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 486.52 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 138684899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).