N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide

C25H23F2N5O3 — CID 154966262

IUPACN-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
SMILESCc1noc(C)c1-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@]3(C#N)C3CC3)c2c1
InChIInChI=1S/C25H23F2N5O3/c1-14-22(15(2)35-31-14)16-3-6-20-19(9-16)18(7-8-29-20)23(34)30-10-21(33)32-13-25(26,27)11-24(32,12-28)17-4-5-17/h3,6-9,17H,4-5,10-11,13H2,1-2H3,(H,30,34)/t24-/m0/s1
InChIKeyFBAUJXSXODJFSF-DEOSSOPVSA-N
MW479.49 g/mol
LogP3.78
Rot. Bonds5

About N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide

N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide (PubChem CID 154966262) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
PubChem CID154966262
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC NameN-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
SMILESCc1noc(C)c1-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@]3(C#N)C3CC3)c2c1
InChIInChI=1S/C25H23F2N5O3/c1-14-22(15(2)35-31-14)16-3-6-20-19(9-16)18(7-8-29-20)23(34)30-10-21(33)32-13-25(26,27)11-24(32,12-28)17-4-5-17/h3,6-9,17H,4-5,10-11,13H2,1-2H3,(H,30,34)/t24-/m0/s1
InChIKeyFBAUJXSXODJFSF-DEOSSOPVSA-N
XLogP3.78
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

N-[2-(2-cyano-4,4-difluoro-2-methoxypyrrolidin-1-yl)-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
CID 151729711
N-[2-[(2S)-2-cyano-4,4-difluoro-2-piperidin-1-ylpyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
CID 154966213
6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 154966204
6-(6-chloronaphthalen-2-yl)-N-[2-[(2R)-2-cyano-4,4-difluoro-2-phenylpyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 154966274
6-(6-chloronaphthalen-2-yl)-N-[2-[(2S)-2-cyano-4,4-difluoro-2-piperidin-1-ylpyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 153196878
N-[2-[(2S)-2-cyano-5,5-difluoropiperidin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)quinoline-4-carboxamide
CID 154966246
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3-methyl-1-benzofuran-6-yl)quinoline-4-carboxamide
CID 154966193
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-quinazolin-6-ylquinoline-4-carboxamide
CID 154942099
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-(1-methyl-8aH-imidazo[1,2-a]pyridin-6-yl)quinoline-4-carboxamide
CID 152544010
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-(6-propan-2-yloxy-3-pyridinyl)quinoline-4-carboxamide
CID 154590816
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-(2,3-dihydro-1H-indol-5-yl)quinoline-4-carboxamide
CID 152724134
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline-4-carboxamide
CID 150109043

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide (CID 154966262) is N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide is Cc1noc(C)c1-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@]3(C#N)C3CC3)c2c1.
What is the InChIKey of N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide?
The InChIKey is FBAUJXSXODJFSF-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-14-22(15(2)35-31-14)16-3-6-20-19(9-16)18(7-8-29-20)23(34)30-10-21(33)32-13-25(26,27)11-24(32,12-28)17-4-5-17/h3,6-9,17H,4-5,10-11,13H2,1-2H3,(H,30,34)/t24-/m0/s1.
What are the key properties of N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide?
N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 154966262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).