(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

C23H23F5N4O4 — CID 176860494

IUPAC(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
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccnc(N4C=CNC4O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C23H23F5N4O4/c1-11-16(13-4-5-14(24)17(25)18(13)35-3)19(36-22(11,2)23(26,27)28)20(33)31-12-6-7-29-15(10-12)32-9-8-30-21(32)34/h4-11,16,19,21,30,34H,1-3H3,(H,29,31,33)/t11-,16-,19+,21?,22+/m0/s1
InChIKeyFQORLGSMPNXGNB-BXHJPSDOSA-N
MW514.45 g/mol
LogP3.60
Rot. Bonds5

About (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

(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 (PubChem CID 176860494) has the molecular formula C23H23F5N4O4 and a molecular weight of 514.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID176860494
Molecular FormulaC23H23F5N4O4
Molecular Weight514.45 g/mol
Exact Mass514.16
IUPAC Name(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
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccnc(N4C=CNC4O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C23H23F5N4O4/c1-11-16(13-4-5-14(24)17(25)18(13)35-3)19(36-22(11,2)23(26,27)28)20(33)31-12-6-7-29-15(10-12)32-9-8-30-21(32)34/h4-11,16,19,21,30,34H,1-3H3,(H,29,31,33)/t11-,16-,19+,21?,22+/m0/s1
InChIKeyFQORLGSMPNXGNB-BXHJPSDOSA-N
XLogP3.60
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.45
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
(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
(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
(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)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[2-(2-methyltetrazol-5-yl)-4-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 170959218
(2S,3R,4R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[2-[(2,2,2-trichloroacetyl)carbamoylamino]-4-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 176882174
[(1R)-1-[4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-pyridinyl]ethyl] acetate
CID 175806247

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1c([C@H]2[C@H](C(=O)Nc3ccnc(N4C=CNC4O)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-1,2-dihydroimidazol-3-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is FQORLGSMPNXGNB-BXHJPSDOSA-N. The full InChI is InChI=1S/C23H23F5N4O4/c1-11-16(13-4-5-14(24)17(25)18(13)35-3)19(36-22(11,2)23(26,27)28)20(33)31-12-6-7-29-15(10-12)32-9-8-30-21(32)34/h4-11,16,19,21,30,34H,1-3H3,(H,29,31,33)/t11-,16-,19+,21?,22+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 514.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 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-1,2-dihydroimidazol-3-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 176860494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).