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

C22H24F5N3O4 — CID 166160486

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3cnnc(C(C)(C)O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H24F5N3O4/c1-10-15(12-6-7-13(23)16(24)17(12)33-5)18(34-21(10,4)22(25,26)27)19(31)29-11-8-14(20(2,3)32)30-28-9-11/h6-10,15,18,32H,1-5H3,(H,29,30,31)/t10-,15-,18+,21+/m0/s1
InChIKeyRGQKPZMQIHHYAM-TZDAZOALSA-N
MW489.44 g/mol
LogP4.07
Rot. Bonds5

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

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160486) has the molecular formula C22H24F5N3O4 and a molecular weight of 489.44 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)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-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160486
Molecular FormulaC22H24F5N3O4
Molecular Weight489.44 g/mol
Exact Mass489.17
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3cnnc(C(C)(C)O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H24F5N3O4/c1-10-15(12-6-7-13(23)16(24)17(12)33-5)18(34-21(10,4)22(25,26)27)19(31)29-11-8-14(20(2,3)32)30-28-9-11/h6-10,15,18,32H,1-5H3,(H,29,30,31)/t10-,15-,18+,21+/m0/s1
InChIKeyRGQKPZMQIHHYAM-TZDAZOALSA-N
XLogP4.07
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)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-hydroxypropan-2-yl)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-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160486) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)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-hydroxypropan-2-yl)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-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3cnnc(C(C)(C)O)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is RGQKPZMQIHHYAM-TZDAZOALSA-N. The full InChI is InChI=1S/C22H24F5N3O4/c1-10-15(12-6-7-13(23)16(24)17(12)33-5)18(34-21(10,4)22(25,26)27)19(31)29-11-8-14(20(2,3)32)30-28-9-11/h6-10,15,18,32H,1-5H3,(H,29,30,31)/t10-,15-,18+,21+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 489.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 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-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).