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

C27H32F5N3O6 — CID 166160022

IUPAC(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)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)c2OCCN2CCOCC2)[C@H](C(=O)Nc2ccc([C@@H](O)CO)nc2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C27H32F5N3O6/c1-15-21(17-4-5-18(28)22(29)23(17)40-12-9-35-7-10-39-11-8-35)24(41-26(15,2)27(30,31)32)25(38)34-16-3-6-19(33-13-16)20(37)14-36/h3-6,13,15,20-21,24,36-37H,7-12,14H2,1-2H3,(H,34,38)/t15-,20-,21-,24+,26+/m0/s1
InChIKeySNFORKYGVYXWLN-HEVKCGKTSA-N
MW589.56 g/mol
LogP3.17
Rot. Bonds9

About (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)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-morpholin-4-ylethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160022) has the molecular formula C27H32F5N3O6 and a molecular weight of 589.56 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)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-morpholin-4-ylethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160022
Molecular FormulaC27H32F5N3O6
Molecular Weight589.56 g/mol
Exact Mass589.22
IUPAC Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)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)c2OCCN2CCOCC2)[C@H](C(=O)Nc2ccc([C@@H](O)CO)nc2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C27H32F5N3O6/c1-15-21(17-4-5-18(28)22(29)23(17)40-12-9-35-7-10-39-11-8-35)24(41-26(15,2)27(30,31)32)25(38)34-16-3-6-19(33-13-16)20(37)14-36/h3-6,13,15,20-21,24,36-37H,7-12,14H2,1-2H3,(H,34,38)/t15-,20-,21-,24+,26+/m0/s1
InChIKeySNFORKYGVYXWLN-HEVKCGKTSA-N
XLogP3.17
TPSA113.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.56
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)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-morpholin-4-ylethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160022) is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)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-morpholin-4-ylethoxy)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-morpholin-4-ylethoxy)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)c2OCCN2CCOCC2)[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-morpholin-4-ylethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is SNFORKYGVYXWLN-HEVKCGKTSA-N. The full InChI is InChI=1S/C27H32F5N3O6/c1-15-21(17-4-5-18(28)22(29)23(17)40-12-9-35-7-10-39-11-8-35)24(41-26(15,2)27(30,31)32)25(38)34-16-3-6-19(33-13-16)20(37)14-36/h3-6,13,15,20-21,24,36-37H,7-12,14H2,1-2H3,(H,34,38)/t15-,20-,21-,24+,26+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)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-morpholin-4-ylethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 589.56 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).