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

C24H20ClF4N5O4 — CID 68806684

IUPAC(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cccc(C(F)(F)F)c3=O)cc2F)N(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C24H20ClF4N5O4/c1-38-15-10-19(34(12-15)23(37)32-20-7-4-13(25)11-30-20)21(35)31-18-6-5-14(9-17(18)26)33-8-2-3-16(22(33)36)24(27,28)29/h2-9,11,15,19H,10,12H2,1H3,(H,31,35)(H,30,32,37)/t15-,19-/m1/s1
InChIKeyXZXRLKTVXAHAFS-DNVCBOLYSA-N
MW553.90 g/mol
LogP4.30
Rot. Bonds5

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

(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 68806684) has the molecular formula C24H20ClF4N5O4 and a molecular weight of 553.90 g/mol. Its IUPAC name is (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID68806684
Molecular FormulaC24H20ClF4N5O4
Molecular Weight553.90 g/mol
Exact Mass553.11
IUPAC Name(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cccc(C(F)(F)F)c3=O)cc2F)N(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C24H20ClF4N5O4/c1-38-15-10-19(34(12-15)23(37)32-20-7-4-13(25)11-30-20)21(35)31-18-6-5-14(9-17(18)26)33-8-2-3-16(22(33)36)24(27,28)29/h2-9,11,15,19H,10,12H2,1H3,(H,31,35)(H,30,32,37)/t15-,19-/m1/s1
InChIKeyXZXRLKTVXAHAFS-DNVCBOLYSA-N
XLogP4.30
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.90
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 68806684) is (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is CO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cccc(C(F)(F)F)c3=O)cc2F)N(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is XZXRLKTVXAHAFS-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H20ClF4N5O4/c1-38-15-10-19(34(12-15)23(37)32-20-7-4-13(25)11-30-20)21(35)31-18-6-5-14(9-17(18)26)33-8-2-3-16(22(33)36)24(27,28)29/h2-9,11,15,19H,10,12H2,1H3,(H,31,35)(H,30,32,37)/t15-,19-/m1/s1.
What are the key properties of (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 553.90 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 68806684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).