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

C30H26FN5O3 — CID 154598124

IUPACN-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H]2[C@@H](c3ccccc3)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(=O)C2(C)C)o1
InChIInChI=1S/C30H26FN5O3/c1-18-32-17-25(39-18)28(37)34-27-26(19-7-5-4-6-8-19)35(29(38)30(27,2)3)23-13-14-24-20(15-23)16-33-36(24)22-11-9-21(31)10-12-22/h4-17,26-27H,1-3H3,(H,34,37)/t26-,27-/m1/s1
InChIKeyVNEYUMGKOMKMHW-KAYWLYCHSA-N
MW523.57 g/mol
LogP5.37
Rot. Bonds5

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

N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 154598124) has the molecular formula C30H26FN5O3 and a molecular weight of 523.57 g/mol. Its IUPAC name is N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID154598124
Molecular FormulaC30H26FN5O3
Molecular Weight523.57 g/mol
Exact Mass523.20
IUPAC NameN-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H]2[C@@H](c3ccccc3)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(=O)C2(C)C)o1
InChIInChI=1S/C30H26FN5O3/c1-18-32-17-25(39-18)28(37)34-27-26(19-7-5-4-6-8-19)35(29(38)30(27,2)3)23-13-14-24-20(15-23)16-33-36(24)22-11-9-21(31)10-12-22/h4-17,26-27H,1-3H3,(H,34,37)/t26-,27-/m1/s1
InChIKeyVNEYUMGKOMKMHW-KAYWLYCHSA-N
XLogP5.37
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.57
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide (CID 154598124) is N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide is Cc1ncc(C(=O)N[C@@H]2[C@@H](c3ccccc3)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(=O)C2(C)C)o1.
What is the InChIKey of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is VNEYUMGKOMKMHW-KAYWLYCHSA-N. The full InChI is InChI=1S/C30H26FN5O3/c1-18-32-17-25(39-18)28(37)34-27-26(19-7-5-4-6-8-19)35(29(38)30(27,2)3)23-13-14-24-20(15-23)16-33-36(24)22-11-9-21(31)10-12-22/h4-17,26-27H,1-3H3,(H,34,37)/t26-,27-/m1/s1.
What are the key properties of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 523.57 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 154598124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).