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

C28H25FN4O2 — CID 154598110

IUPACN-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESC[C@@]1(c2ccccc2)[C@@H](NC(=O)C2CC2)CC(=O)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C28H25FN4O2/c1-28(20-5-3-2-4-6-20)25(31-27(35)18-7-8-18)16-26(34)32(28)23-13-14-24-19(15-23)17-30-33(24)22-11-9-21(29)10-12-22/h2-6,9-15,17-18,25H,7-8,16H2,1H3,(H,31,35)/t25-,28+/m0/s1
InChIKeyOAQRLTXEZBWSHE-LBNVMWSVSA-N
MW468.53 g/mol
LogP4.71
Rot. Bonds5

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

N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 154598110) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID154598110
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC NameN-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESC[C@@]1(c2ccccc2)[C@@H](NC(=O)C2CC2)CC(=O)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C28H25FN4O2/c1-28(20-5-3-2-4-6-20)25(31-27(35)18-7-8-18)16-26(34)32(28)23-13-14-24-19(15-23)17-30-33(24)22-11-9-21(29)10-12-22/h2-6,9-15,17-18,25H,7-8,16H2,1H3,(H,31,35)/t25-,28+/m0/s1
InChIKeyOAQRLTXEZBWSHE-LBNVMWSVSA-N
XLogP4.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 154598110) is N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is C[C@@]1(c2ccccc2)[C@@H](NC(=O)C2CC2)CC(=O)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is OAQRLTXEZBWSHE-LBNVMWSVSA-N. The full InChI is InChI=1S/C28H25FN4O2/c1-28(20-5-3-2-4-6-20)25(31-27(35)18-7-8-18)16-26(34)32(28)23-13-14-24-19(15-23)17-30-33(24)22-11-9-21(29)10-12-22/h2-6,9-15,17-18,25H,7-8,16H2,1H3,(H,31,35)/t25-,28+/m0/s1.
What are the key properties of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 468.53 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154598110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).