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

C27H21F3N4O2 — CID 154598325

IUPACN-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1[C@@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(F)F)C1CC1
InChIInChI=1S/C27H21F3N4O2/c28-19-8-10-20(11-9-19)34-22-13-12-21(14-18(22)15-31-34)33-23(16-4-2-1-3-5-16)24(27(29,30)26(33)36)32-25(35)17-6-7-17/h1-5,8-15,17,23-24H,6-7H2,(H,32,35)/t23-,24-/m1/s1
InChIKeySTTZAQNAYMSNKV-DNQXCXABSA-N
MW490.49 g/mol
LogP4.78
Rot. Bonds5

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

N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 154598325) has the molecular formula C27H21F3N4O2 and a molecular weight of 490.49 g/mol. Its IUPAC name is N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID154598325
Molecular FormulaC27H21F3N4O2
Molecular Weight490.49 g/mol
Exact Mass490.16
IUPAC NameN-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1[C@@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(F)F)C1CC1
InChIInChI=1S/C27H21F3N4O2/c28-19-8-10-20(11-9-19)34-22-13-12-21(14-18(22)15-31-34)33-23(16-4-2-1-3-5-16)24(27(29,30)26(33)36)32-25(35)17-6-7-17/h1-5,8-15,17,23-24H,6-7H2,(H,32,35)/t23-,24-/m1/s1
InChIKeySTTZAQNAYMSNKV-DNQXCXABSA-N
XLogP4.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 154598325) is N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is O=C(N[C@@H]1[C@@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(F)F)C1CC1.
What is the InChIKey of N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is STTZAQNAYMSNKV-DNQXCXABSA-N. The full InChI is InChI=1S/C27H21F3N4O2/c28-19-8-10-20(11-9-19)34-22-13-12-21(14-18(22)15-31-34)33-23(16-4-2-1-3-5-16)24(27(29,30)26(33)36)32-25(35)17-6-7-17/h1-5,8-15,17,23-24H,6-7H2,(H,32,35)/t23-,24-/m1/s1.
What are the key properties of N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 490.49 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154598325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).