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

C25H24F5N5O4 — CID 167221149

IUPAC4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylimidazol-2-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)c2OCc2nccn2C)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C25H24F5N5O4/c1-12-18(14-4-5-15(26)19(27)20(14)38-11-17-33-8-9-35(17)3)21(39-24(12,2)25(28,29)30)23(37)34-13-6-7-32-16(10-13)22(31)36/h4-10,12,18,21H,11H2,1-3H3,(H2,31,36)(H,32,34,37)/t12-,18-,21+,24+/m0/s1
InChIKeyCKDMGCREKYILQK-FIVORTTBSA-N
MW553.49 g/mol
LogP3.85
Rot. Bonds7

About 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylimidazol-2-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-methylimidazol-2-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 167221149) 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-methylimidazol-2-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-methylimidazol-2-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
PubChem CID167221149
Molecular FormulaC25H24F5N5O4
Molecular Weight553.49 g/mol
Exact Mass553.17
IUPAC Name4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylimidazol-2-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)c2OCc2nccn2C)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C25H24F5N5O4/c1-12-18(14-4-5-15(26)19(27)20(14)38-11-17-33-8-9-35(17)3)21(39-24(12,2)25(28,29)30)23(37)34-13-6-7-32-16(10-13)22(31)36/h4-10,12,18,21H,11H2,1-3H3,(H2,31,36)(H,32,34,37)/t12-,18-,21+,24+/m0/s1
InChIKeyCKDMGCREKYILQK-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-methylimidazol-2-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylimidazol-2-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-methylimidazol-2-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (CID 167221149) is 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylimidazol-2-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-methylimidazol-2-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-methylimidazol-2-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)c2OCc2nccn2C)[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-methylimidazol-2-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is CKDMGCREKYILQK-FIVORTTBSA-N. The full InChI is InChI=1S/C25H24F5N5O4/c1-12-18(14-4-5-15(26)19(27)20(14)38-11-17-33-8-9-35(17)3)21(39-24(12,2)25(28,29)30)23(37)34-13-6-7-32-16(10-13)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-methylimidazol-2-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-methylimidazol-2-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-methylimidazol-2-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167221149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).