(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C24H25F5N4O4 — CID 176860319

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccnc(N4C=CN(C)C4O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C24H25F5N4O4/c1-12-17(14-5-6-15(25)18(26)19(14)36-4)20(37-23(12,2)24(27,28)29)21(34)31-13-7-8-30-16(11-13)33-10-9-32(3)22(33)35/h5-12,17,20,22,35H,1-4H3,(H,30,31,34)/t12-,17-,20+,22?,23+/m0/s1
InChIKeyUPKXQCCYQJIKPG-KJBDYPJDSA-N
MW528.48 g/mol
LogP3.95
Rot. Bonds5

About (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 176860319) has the molecular formula C24H25F5N4O4 and a molecular weight of 528.48 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID176860319
Molecular FormulaC24H25F5N4O4
Molecular Weight528.48 g/mol
Exact Mass528.18
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccnc(N4C=CN(C)C4O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C24H25F5N4O4/c1-12-17(14-5-6-15(25)18(26)19(14)36-4)20(37-23(12,2)24(27,28)29)21(34)31-13-7-8-30-16(11-13)33-10-9-32(3)22(33)35/h5-12,17,20,22,35H,1-4H3,(H,30,31,34)/t12-,17-,20+,22?,23+/m0/s1
InChIKeyUPKXQCCYQJIKPG-KJBDYPJDSA-N
XLogP3.95
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Related Compounds

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-1,2-dihydroimidazol-3-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 176860494
(2S,3R,4R,5S)-N-(2-amino-4-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 176882162
(2S,3S,4S,5R)-N-(2-acetyl-4-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 170407687
(2S,3R,4R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160828
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[2-[(1S,5R)-8-methyl-2-oxo-3,8-diazabicyclo[3.2.1]octan-3-yl]-4-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211900
(2R,3S,4S,5R)-N-(2-aminopyrimidin-5-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 170959238
(2S,3R,4R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211627
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211542
(2R,3S,4S,5R)-N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167212299
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[2-(2-methyltetrazol-5-yl)-4-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 170959218
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167212379
4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 167221197

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 176860319) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccnc(N4C=CN(C)C4O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is UPKXQCCYQJIKPG-KJBDYPJDSA-N. The full InChI is InChI=1S/C24H25F5N4O4/c1-12-17(14-5-6-15(25)18(26)19(14)36-4)20(37-23(12,2)24(27,28)29)21(34)31-13-7-8-30-16(11-13)33-10-9-32(3)22(33)35/h5-12,17,20,22,35H,1-4H3,(H,30,31,34)/t12-,17-,20+,22?,23+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 528.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(2-hydroxy-3-methyl-2H-imidazol-1-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 176860319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).