(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide

C22H21ClFN5O3 — CID 58619662

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cccn3)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H21ClFN5O3/c1-32-17-12-20(28(13-17)22(31)26-15-5-3-14(23)4-6-15)21(30)27-19-8-7-16(11-18(19)24)29-10-2-9-25-29/h2-11,17,20H,12-13H2,1H3,(H,26,31)(H,27,30)/t17-,20-/m1/s1
InChIKeyHVKWVYIUGAHIKY-YLJYHZDGSA-N
MW457.89 g/mol
LogP3.92
Rot. Bonds5

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 58619662) has the molecular formula C22H21ClFN5O3 and a molecular weight of 457.89 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID58619662
Molecular FormulaC22H21ClFN5O3
Molecular Weight457.89 g/mol
Exact Mass457.13
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cccn3)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H21ClFN5O3/c1-32-17-12-20(28(13-17)22(31)26-15-5-3-14(23)4-6-15)21(30)27-19-8-7-16(11-18(19)24)29-10-2-9-25-29/h2-11,17,20H,12-13H2,1H3,(H,26,31)(H,27,30)/t17-,20-/m1/s1
InChIKeyHVKWVYIUGAHIKY-YLJYHZDGSA-N
XLogP3.92
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.89
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (CID 58619662) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide is CO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cccn3)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is HVKWVYIUGAHIKY-YLJYHZDGSA-N. The full InChI is InChI=1S/C22H21ClFN5O3/c1-32-17-12-20(28(13-17)22(31)26-15-5-3-14(23)4-6-15)21(30)27-19-8-7-16(11-18(19)24)29-10-2-9-25-29/h2-11,17,20H,12-13H2,1H3,(H,26,31)(H,27,30)/t17-,20-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 457.89 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluoro-4-pyrazol-1-ylphenyl)-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 58619662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).