(3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

C23H24FN3O2S — CID 134807839

IUPAC(3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)cc3)N(Cc3csc(C)n3)C2)c1
InChIInChI=1S/C23H24FN3O2S/c1-15-25-20(14-30-15)13-27-12-17(10-22(27)16-6-8-18(24)9-7-16)23(28)26-19-4-3-5-21(11-19)29-2/h3-9,11,14,17,22H,10,12-13H2,1-2H3,(H,26,28)/t17-,22-/m1/s1
InChIKeyOSCMYBGHEYZRGZ-VGOFRKELSA-N
MW425.53 g/mol
LogP4.80
Rot. Bonds6

About (3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

(3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 134807839) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is (3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID134807839
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name(3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)cc3)N(Cc3csc(C)n3)C2)c1
InChIInChI=1S/C23H24FN3O2S/c1-15-25-20(14-30-15)13-27-12-17(10-22(27)16-6-8-18(24)9-7-16)23(28)26-19-4-3-5-21(11-19)29-2/h3-9,11,14,17,22H,10,12-13H2,1-2H3,(H,26,28)/t17-,22-/m1/s1
InChIKeyOSCMYBGHEYZRGZ-VGOFRKELSA-N
XLogP4.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 134807839) is (3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is COc1cccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)cc3)N(Cc3csc(C)n3)C2)c1.
What is the InChIKey of (3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is OSCMYBGHEYZRGZ-VGOFRKELSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-15-25-20(14-30-15)13-27-12-17(10-22(27)16-6-8-18(24)9-7-16)23(28)26-19-4-3-5-21(11-19)29-2/h3-9,11,14,17,22H,10,12-13H2,1-2H3,(H,26,28)/t17-,22-/m1/s1.
What are the key properties of (3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
(3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134807839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).