4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

C25H24F5N5O4 — CID 166159940

IUPAC4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
SMILESC[C@H]1[C@@H](c2ccc(F)c(F)c2OCc2cnn(C)c2)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C25H24F5N5O4/c1-12-18(15-4-5-16(26)19(27)20(15)38-11-13-9-33-35(3)10-13)21(39-24(12,2)25(28,29)30)23(37)34-14-6-7-32-17(8-14)22(31)36/h4-10,12,18,21H,11H2,1-3H3,(H2,31,36)(H,32,34,37)/t12-,18-,21+,24+/m0/s1
InChIKeyZPBGEESZVJJXQO-FIVORTTBSA-N
MW553.49 g/mol
LogP3.85
Rot. Bonds7

About 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 166159940) has the molecular formula C25H24F5N5O4 and a molecular weight of 553.49 g/mol. Its IUPAC name is 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
PubChem CID166159940
Molecular FormulaC25H24F5N5O4
Molecular Weight553.49 g/mol
Exact Mass553.17
IUPAC Name4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
SMILESC[C@H]1[C@@H](c2ccc(F)c(F)c2OCc2cnn(C)c2)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C25H24F5N5O4/c1-12-18(15-4-5-16(26)19(27)20(15)38-11-13-9-33-35(3)10-13)21(39-24(12,2)25(28,29)30)23(37)34-14-6-7-32-17(8-14)22(31)36/h4-10,12,18,21H,11H2,1-3H3,(H2,31,36)(H,32,34,37)/t12-,18-,21+,24+/m0/s1
InChIKeyZPBGEESZVJJXQO-FIVORTTBSA-N
XLogP3.85
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (CID 166159940) is 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is C[C@H]1[C@@H](c2ccc(F)c(F)c2OCc2cnn(C)c2)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F.
What is the InChIKey of 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is ZPBGEESZVJJXQO-FIVORTTBSA-N. The full InChI is InChI=1S/C25H24F5N5O4/c1-12-18(15-4-5-16(26)19(27)20(15)38-11-13-9-33-35(3)10-13)21(39-24(12,2)25(28,29)30)23(37)34-14-6-7-32-17(8-14)22(31)36/h4-10,12,18,21H,11H2,1-3H3,(H2,31,36)(H,32,34,37)/t12-,18-,21+,24+/m0/s1.
What are the key properties of 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 553.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 166159940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).