(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide

C25H25ClFN5O3 — CID 11271947

IUPAC(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide
SMILESCC(C)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C25H25ClFN5O3/c1-15(2)31-13-18(19(14-31)25(35)30-22-9-6-16(26)12-28-22)24(34)29-21-8-7-17(11-20(21)27)32-10-4-3-5-23(32)33/h3-12,15,18-19H,13-14H2,1-2H3,(H,29,34)(H,28,30,35)/t18-,19-/m0/s1
InChIKeyIIBIFVJQAPYTPR-OALUTQOASA-N
MW497.96 g/mol
LogP3.56
Rot. Bonds6

About (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide

(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide (PubChem CID 11271947) has the molecular formula C25H25ClFN5O3 and a molecular weight of 497.96 g/mol. Its IUPAC name is (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide
PubChem CID11271947
Molecular FormulaC25H25ClFN5O3
Molecular Weight497.96 g/mol
Exact Mass497.16
IUPAC Name(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide
SMILESCC(C)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C25H25ClFN5O3/c1-15(2)31-13-18(19(14-31)25(35)30-22-9-6-16(26)12-28-22)24(34)29-21-8-7-17(11-20(21)27)32-10-4-3-5-23(32)33/h3-12,15,18-19H,13-14H2,1-2H3,(H,29,34)(H,28,30,35)/t18-,19-/m0/s1
InChIKeyIIBIFVJQAPYTPR-OALUTQOASA-N
XLogP3.56
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide (CID 11271947) is (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide is CC(C)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1.
What is the InChIKey of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide?
The InChIKey is IIBIFVJQAPYTPR-OALUTQOASA-N. The full InChI is InChI=1S/C25H25ClFN5O3/c1-15(2)31-13-18(19(14-31)25(35)30-22-9-6-16(26)12-28-22)24(34)29-21-8-7-17(11-20(21)27)32-10-4-3-5-23(32)33/h3-12,15,18-19H,13-14H2,1-2H3,(H,29,34)(H,28,30,35)/t18-,19-/m0/s1.
What are the key properties of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide?
(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide has a molecular weight of 497.96 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-propan-2-ylpyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 11271947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).