(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C22H24F5N3O5 — CID 166160257

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOCCOc1cc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)cnn1
InChIInChI=1S/C22H24F5N3O5/c1-11-16(13-5-6-14(23)17(24)18(13)33-4)19(35-21(11,2)22(25,26)27)20(31)29-12-9-15(30-28-10-12)34-8-7-32-3/h5-6,9-11,16,19H,7-8H2,1-4H3,(H,29,30,31)/t11-,16-,19+,21+/m0/s1
InChIKeyUSUNNVAFVSQHQO-YFVHLLGCSA-N
MW505.44 g/mol
LogP3.87
Rot. Bonds8

About (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160257) has the molecular formula C22H24F5N3O5 and a molecular weight of 505.44 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160257
Molecular FormulaC22H24F5N3O5
Molecular Weight505.44 g/mol
Exact Mass505.16
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOCCOc1cc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)cnn1
InChIInChI=1S/C22H24F5N3O5/c1-11-16(13-5-6-14(23)17(24)18(13)33-4)19(35-21(11,2)22(25,26)27)20(31)29-12-9-15(30-28-10-12)34-8-7-32-3/h5-6,9-11,16,19H,7-8H2,1-4H3,(H,29,30,31)/t11-,16-,19+,21+/m0/s1
InChIKeyUSUNNVAFVSQHQO-YFVHLLGCSA-N
XLogP3.87
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-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-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160257) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COCCOc1cc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)cnn1.
What is the InChIKey of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is USUNNVAFVSQHQO-YFVHLLGCSA-N. The full InChI is InChI=1S/C22H24F5N3O5/c1-11-16(13-5-6-14(23)17(24)18(13)33-4)19(35-21(11,2)22(25,26)27)20(31)29-12-9-15(30-28-10-12)34-8-7-32-3/h5-6,9-11,16,19H,7-8H2,1-4H3,(H,29,30,31)/t11-,16-,19+,21+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 505.44 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).