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

C24H21ClF3N5O3 — CID 24849206

IUPAC(3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@H]1CN(CC(F)F)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C24H21ClF3N5O3/c25-14-4-7-21(29-10-14)31-24(36)17-12-32(13-20(27)28)11-16(17)23(35)30-19-6-5-15(9-18(19)26)33-8-2-1-3-22(33)34/h1-10,16-17,20H,11-13H2,(H,30,35)(H,29,31,36)/t16-,17-/m0/s1
InChIKeyDVMCMTVFXINJGW-IRXDYDNUSA-N
MW519.91 g/mol
LogP3.42
Rot. Bonds7

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

(3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide (PubChem CID 24849206) has the molecular formula C24H21ClF3N5O3 and a molecular weight of 519.91 g/mol. Its IUPAC name is (3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide
PubChem CID24849206
Molecular FormulaC24H21ClF3N5O3
Molecular Weight519.91 g/mol
Exact Mass519.13
IUPAC Name(3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@H]1CN(CC(F)F)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C24H21ClF3N5O3/c25-14-4-7-21(29-10-14)31-24(36)17-12-32(13-20(27)28)11-16(17)23(35)30-19-6-5-15(9-18(19)26)33-8-2-1-3-22(33)34/h1-10,16-17,20H,11-13H2,(H,30,35)(H,29,31,36)/t16-,17-/m0/s1
InChIKeyDVMCMTVFXINJGW-IRXDYDNUSA-N
XLogP3.42
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.91
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-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)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide (CID 24849206) is (3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide is O=C(Nc1ccc(Cl)cn1)[C@H]1CN(CC(F)F)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide?
The InChIKey is DVMCMTVFXINJGW-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H21ClF3N5O3/c25-14-4-7-21(29-10-14)31-24(36)17-12-32(13-20(27)28)11-16(17)23(35)30-19-6-5-15(9-18(19)26)33-8-2-1-3-22(33)34/h1-10,16-17,20H,11-13H2,(H,30,35)(H,29,31,36)/t16-,17-/m0/s1.
What are the key properties of (3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide?
(3R,4R)-3-N-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide has a molecular weight of 519.91 g/mol, XLogP of 3.42, 7 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)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 24849206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).