(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C23H23ClFN5O3 — CID 58619593

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccc(C)n3)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H23ClFN5O3/c1-14-9-10-30(28-14)17-7-8-20(19(25)11-17)27-22(31)21-12-18(33-2)13-29(21)23(32)26-16-5-3-15(24)4-6-16/h3-11,18,21H,12-13H2,1-2H3,(H,26,32)(H,27,31)/t18-,21-/m1/s1
InChIKeyNGIRAZMZYIJMLO-WIYYLYMNSA-N
MW471.92 g/mol
LogP4.23
Rot. Bonds5

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 58619593) has the molecular formula C23H23ClFN5O3 and a molecular weight of 471.92 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID58619593
Molecular FormulaC23H23ClFN5O3
Molecular Weight471.92 g/mol
Exact Mass471.15
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccc(C)n3)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H23ClFN5O3/c1-14-9-10-30(28-14)17-7-8-20(19(25)11-17)27-22(31)21-12-18(33-2)13-29(21)23(32)26-16-5-3-15(24)4-6-16/h3-11,18,21H,12-13H2,1-2H3,(H,26,32)(H,27,31)/t18-,21-/m1/s1
InChIKeyNGIRAZMZYIJMLO-WIYYLYMNSA-N
XLogP4.23
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.23
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-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 58619593) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is CO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccc(C)n3)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is NGIRAZMZYIJMLO-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H23ClFN5O3/c1-14-9-10-30(28-14)17-7-8-20(19(25)11-17)27-22(31)21-12-18(33-2)13-29(21)23(32)26-16-5-3-15(24)4-6-16/h3-11,18,21H,12-13H2,1-2H3,(H,26,32)(H,27,31)/t18-,21-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 471.92 g/mol, XLogP of 4.23, 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-(3-methylpyrazol-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 58619593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).