(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C23H24F6N2O5 — CID 166158895

IUPAC(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESC[C@H]1[C@@H](c2ccc(F)c(F)c2OCCF)[C@H](C(=O)Nc2ccc([C@@H](O)CO)nc2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C23H24F6N2O5/c1-11-17(13-4-5-14(25)18(26)19(13)35-8-7-24)20(36-22(11,2)23(27,28)29)21(34)31-12-3-6-15(30-9-12)16(33)10-32/h3-6,9,11,16-17,20,32-33H,7-8,10H2,1-2H3,(H,31,34)/t11-,16-,17-,20+,22+/m0/s1
InChIKeyUJCBHUWBXDXLPK-XHUREXFTSA-N
MW522.44 g/mol
LogP3.81
Rot. Bonds8

About (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166158895) has the molecular formula C23H24F6N2O5 and a molecular weight of 522.44 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166158895
Molecular FormulaC23H24F6N2O5
Molecular Weight522.44 g/mol
Exact Mass522.16
IUPAC Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESC[C@H]1[C@@H](c2ccc(F)c(F)c2OCCF)[C@H](C(=O)Nc2ccc([C@@H](O)CO)nc2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C23H24F6N2O5/c1-11-17(13-4-5-14(25)18(26)19(13)35-8-7-24)20(36-22(11,2)23(27,28)29)21(34)31-12-3-6-15(30-9-12)16(33)10-32/h3-6,9,11,16-17,20,32-33H,7-8,10H2,1-2H3,(H,31,34)/t11-,16-,17-,20+,22+/m0/s1
InChIKeyUJCBHUWBXDXLPK-XHUREXFTSA-N
XLogP3.81
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.44
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-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 (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166158895) is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is C[C@H]1[C@@H](c2ccc(F)c(F)c2OCCF)[C@H](C(=O)Nc2ccc([C@@H](O)CO)nc2)O[C@@]1(C)C(F)(F)F.
What is the InChIKey of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is UJCBHUWBXDXLPK-XHUREXFTSA-N. The full InChI is InChI=1S/C23H24F6N2O5/c1-11-17(13-4-5-14(25)18(26)19(13)35-8-7-24)20(36-22(11,2)23(27,28)29)21(34)31-12-3-6-15(30-9-12)16(33)10-32/h3-6,9,11,16-17,20,32-33H,7-8,10H2,1-2H3,(H,31,34)/t11-,16-,17-,20+,22+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 522.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-fluoroethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166158895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).