(3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide

C26H25ClF2N4O3 — CID 69047032

IUPAC(3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide
SMILESCC(CF)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C26H25ClF2N4O3/c1-16(13-28)32-14-20(25(35)30-18-7-5-17(27)6-8-18)21(15-32)26(36)31-23-10-9-19(12-22(23)29)33-11-3-2-4-24(33)34/h2-12,16,20-21H,13-15H2,1H3,(H,30,35)(H,31,36)/t16?,20-,21-/m0/s1
InChIKeyYVUGDRDALXULOF-ZMAUEPLISA-N
MW514.96 g/mol
LogP4.11
Rot. Bonds7

About (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide

(3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide (PubChem CID 69047032) has the molecular formula C26H25ClF2N4O3 and a molecular weight of 514.96 g/mol. Its IUPAC name is (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide
PubChem CID69047032
Molecular FormulaC26H25ClF2N4O3
Molecular Weight514.96 g/mol
Exact Mass514.16
IUPAC Name(3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide
SMILESCC(CF)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C26H25ClF2N4O3/c1-16(13-28)32-14-20(25(35)30-18-7-5-17(27)6-8-18)21(15-32)26(36)31-23-10-9-19(12-22(23)29)33-11-3-2-4-24(33)34/h2-12,16,20-21H,13-15H2,1H3,(H,30,35)(H,31,36)/t16?,20-,21-/m0/s1
InChIKeyYVUGDRDALXULOF-ZMAUEPLISA-N
XLogP4.11
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.96
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide (CID 69047032) is (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide is CC(CF)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1.
What is the InChIKey of (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide?
The InChIKey is YVUGDRDALXULOF-ZMAUEPLISA-N. The full InChI is InChI=1S/C26H25ClF2N4O3/c1-16(13-28)32-14-20(25(35)30-18-7-5-17(27)6-8-18)21(15-32)26(36)31-23-10-9-19(12-22(23)29)33-11-3-2-4-24(33)34/h2-12,16,20-21H,13-15H2,1H3,(H,30,35)(H,31,36)/t16?,20-,21-/m0/s1.
What are the key properties of (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide?
(3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide has a molecular weight of 514.96 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 69047032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).