N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

C28H24F2N4O2 — CID 154598005

IUPACN-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESC[C@@]1(F)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1
InChIInChI=1S/C28H24F2N4O2/c1-28(30)25(32-26(35)18-7-8-18)24(17-5-3-2-4-6-17)33(27(28)36)22-13-14-23-19(15-22)16-31-34(23)21-11-9-20(29)10-12-21/h2-6,9-16,18,24-25H,7-8H2,1H3,(H,32,35)/t24-,25-,28+/m1/s1
InChIKeySCXRNTZTLMRAFO-SKVJQKLOSA-N
MW486.52 g/mol
LogP4.88
Rot. Bonds5

About N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 154598005) has the molecular formula C28H24F2N4O2 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID154598005
Molecular FormulaC28H24F2N4O2
Molecular Weight486.52 g/mol
Exact Mass486.19
IUPAC NameN-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESC[C@@]1(F)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1
InChIInChI=1S/C28H24F2N4O2/c1-28(30)25(32-26(35)18-7-8-18)24(17-5-3-2-4-6-17)33(27(28)36)22-13-14-23-19(15-22)16-31-34(23)21-11-9-20(29)10-12-21/h2-6,9-16,18,24-25H,7-8H2,1H3,(H,32,35)/t24-,25-,28+/m1/s1
InChIKeySCXRNTZTLMRAFO-SKVJQKLOSA-N
XLogP4.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 154598005) is N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is C[C@@]1(F)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1.
What is the InChIKey of N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is SCXRNTZTLMRAFO-SKVJQKLOSA-N. The full InChI is InChI=1S/C28H24F2N4O2/c1-28(30)25(32-26(35)18-7-8-18)24(17-5-3-2-4-6-17)33(27(28)36)22-13-14-23-19(15-22)16-31-34(23)21-11-9-20(29)10-12-21/h2-6,9-16,18,24-25H,7-8H2,1H3,(H,32,35)/t24-,25-,28+/m1/s1.
What are the key properties of N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 486.52 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154598005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).