(3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

C22H23FN4O2S — CID 134805009

IUPAC(3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)cc3)N(Cc3csc(C)n3)C2)cn1
InChIInChI=1S/C22H23FN4O2S/c1-14-25-19(13-30-14)12-27-11-16(9-20(27)15-3-5-17(23)6-4-15)22(28)26-18-7-8-21(29-2)24-10-18/h3-8,10,13,16,20H,9,11-12H2,1-2H3,(H,26,28)/t16-,20-/m1/s1
InChIKeyCWLHLRQXYCOVRZ-OXQOHEQNSA-N
MW426.52 g/mol
LogP4.20
Rot. Bonds6

About (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

(3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 134805009) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID134805009
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC Name(3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)cc3)N(Cc3csc(C)n3)C2)cn1
InChIInChI=1S/C22H23FN4O2S/c1-14-25-19(13-30-14)12-27-11-16(9-20(27)15-3-5-17(23)6-4-15)22(28)26-18-7-8-21(29-2)24-10-18/h3-8,10,13,16,20H,9,11-12H2,1-2H3,(H,26,28)/t16-,20-/m1/s1
InChIKeyCWLHLRQXYCOVRZ-OXQOHEQNSA-N
XLogP4.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-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 (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 134805009) is (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)cc3)N(Cc3csc(C)n3)C2)cn1.
What is the InChIKey of (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is CWLHLRQXYCOVRZ-OXQOHEQNSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c1-14-25-19(13-30-14)12-27-11-16(9-20(27)15-3-5-17(23)6-4-15)22(28)26-18-7-8-21(29-2)24-10-18/h3-8,10,13,16,20H,9,11-12H2,1-2H3,(H,26,28)/t16-,20-/m1/s1.
What are the key properties of (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
(3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134805009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).