(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C22H21F7N2O5 — CID 167211819

IUPAC(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESC[C@@H]1[C@H](c2ccc(F)c(F)c2OC(F)F)[C@@H](C(=O)Nc2ccnc([C@H](O)CO)c2)O[C@]1(C)C(F)(F)F
InChIInChI=1S/C22H21F7N2O5/c1-9-15(11-3-4-12(23)16(24)17(11)35-20(25)26)18(36-21(9,2)22(27,28)29)19(34)31-10-5-6-30-13(7-10)14(33)8-32/h3-7,9,14-15,18,20,32-33H,8H2,1-2H3,(H,30,31,34)/t9-,14-,15-,18+,21+/m1/s1
InChIKeyLWPKDNIUJAGZNG-FRNXBJMJSA-N
MW526.41 g/mol
LogP4.07
Rot. Bonds7

About (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 167211819) has the molecular formula C22H21F7N2O5 and a molecular weight of 526.41 g/mol. Its IUPAC name is (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID167211819
Molecular FormulaC22H21F7N2O5
Molecular Weight526.41 g/mol
Exact Mass526.13
IUPAC Name(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESC[C@@H]1[C@H](c2ccc(F)c(F)c2OC(F)F)[C@@H](C(=O)Nc2ccnc([C@H](O)CO)c2)O[C@]1(C)C(F)(F)F
InChIInChI=1S/C22H21F7N2O5/c1-9-15(11-3-4-12(23)16(24)17(11)35-20(25)26)18(36-21(9,2)22(27,28)29)19(34)31-10-5-6-30-13(7-10)14(33)8-32/h3-7,9,14-15,18,20,32-33H,8H2,1-2H3,(H,30,31,34)/t9-,14-,15-,18+,21+/m1/s1
InChIKeyLWPKDNIUJAGZNG-FRNXBJMJSA-N
XLogP4.07
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.41
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-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 (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 167211819) is (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is C[C@@H]1[C@H](c2ccc(F)c(F)c2OC(F)F)[C@@H](C(=O)Nc2ccnc([C@H](O)CO)c2)O[C@]1(C)C(F)(F)F.
What is the InChIKey of (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is LWPKDNIUJAGZNG-FRNXBJMJSA-N. The full InChI is InChI=1S/C22H21F7N2O5/c1-9-15(11-3-4-12(23)16(24)17(11)35-20(25)26)18(36-21(9,2)22(27,28)29)19(34)31-10-5-6-30-13(7-10)14(33)8-32/h3-7,9,14-15,18,20,32-33H,8H2,1-2H3,(H,30,31,34)/t9-,14-,15-,18+,21+/m1/s1.
What are the key properties of (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 526.41 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 167211819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).