(2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C24H28F4N2O5 — CID 166158906

IUPAC(2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc([C@@H](O)[C@@H](C)O)nc3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1C
InChIInChI=1S/C24H28F4N2O5/c1-11-16(25)8-7-15(20(11)34-5)18-12(2)23(4,24(26,27)28)35-21(18)22(33)30-14-6-9-17(29-10-14)19(32)13(3)31/h6-10,12-13,18-19,21,31-32H,1-5H3,(H,30,33)/t12-,13+,18-,19-,21+,23+/m0/s1
InChIKeyZPIBZRGSONWVQY-MKSQZHAASA-N
MW500.49 g/mol
LogP4.03
Rot. Bonds6

About (2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166158906) has the molecular formula C24H28F4N2O5 and a molecular weight of 500.49 g/mol. Its IUPAC name is (2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166158906
Molecular FormulaC24H28F4N2O5
Molecular Weight500.49 g/mol
Exact Mass500.19
IUPAC Name(2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc([C@@H](O)[C@@H](C)O)nc3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1C
InChIInChI=1S/C24H28F4N2O5/c1-11-16(25)8-7-15(20(11)34-5)18-12(2)23(4,24(26,27)28)35-21(18)22(33)30-14-6-9-17(29-10-14)19(32)13(3)31/h6-10,12-13,18-19,21,31-32H,1-5H3,(H,30,33)/t12-,13+,18-,19-,21+,23+/m0/s1
InChIKeyZPIBZRGSONWVQY-MKSQZHAASA-N
XLogP4.03
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.49
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-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)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166158906) is (2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccc([C@@H](O)[C@@H](C)O)nc3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1C.
What is the InChIKey of (2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is ZPIBZRGSONWVQY-MKSQZHAASA-N. The full InChI is InChI=1S/C24H28F4N2O5/c1-11-16(25)8-7-15(20(11)34-5)18-12(2)23(4,24(26,27)28)35-21(18)22(33)30-14-6-9-17(29-10-14)19(32)13(3)31/h6-10,12-13,18-19,21,31-32H,1-5H3,(H,30,33)/t12-,13+,18-,19-,21+,23+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 500.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166158906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).