(2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid

C18H17BrFN3O5 — CID 68805865

IUPAC(2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cc(Br)ccc3=O)cc2F)N(C(=O)O)C1
InChIInChI=1S/C18H17BrFN3O5/c1-28-12-7-15(23(9-12)18(26)27)17(25)21-14-4-3-11(6-13(14)20)22-8-10(19)2-5-16(22)24/h2-6,8,12,15H,7,9H2,1H3,(H,21,25)(H,26,27)/t12-,15-/m1/s1
InChIKeyDXIVQKYARHZRJM-IUODEOHRSA-N
MW454.25 g/mol
LogP2.44
Rot. Bonds4

About (2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid

(2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid (PubChem CID 68805865) has the molecular formula C18H17BrFN3O5 and a molecular weight of 454.25 g/mol. Its IUPAC name is (2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid
PubChem CID68805865
Molecular FormulaC18H17BrFN3O5
Molecular Weight454.25 g/mol
Exact Mass453.03
IUPAC Name(2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cc(Br)ccc3=O)cc2F)N(C(=O)O)C1
InChIInChI=1S/C18H17BrFN3O5/c1-28-12-7-15(23(9-12)18(26)27)17(25)21-14-4-3-11(6-13(14)20)22-8-10(19)2-5-16(22)24/h2-6,8,12,15H,7,9H2,1H3,(H,21,25)(H,26,27)/t12-,15-/m1/s1
InChIKeyDXIVQKYARHZRJM-IUODEOHRSA-N
XLogP2.44
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-2-N-[4-(5-chloro-2-oxo-1-pyridinyl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 59768169
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-hydroxy-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808052
2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid
CID 174185412
tert-butyl 1-[4-[[1-[chloro(phenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-2-oxopyridine-3-carboxylate
CID 90728808
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-3-nitro-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 87736921
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 69215112
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026057
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 10311348
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-iodo-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808509
[1-[4-[[1-[chloro(pyridin-2-yl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-2-oxo-3-pyridinyl] acetate
CID 91483392
tert-butyl 1-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-2-oxopyridine-3-carboxylate
CID 68807414
(2R,4R)-2-N-[4-(3-benzoyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68913283

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid (CID 68805865) is (2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid is CO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cc(Br)ccc3=O)cc2F)N(C(=O)O)C1.
What is the InChIKey of (2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid?
The InChIKey is DXIVQKYARHZRJM-IUODEOHRSA-N. The full InChI is InChI=1S/C18H17BrFN3O5/c1-28-12-7-15(23(9-12)18(26)27)17(25)21-14-4-3-11(6-13(14)20)22-8-10(19)2-5-16(22)24/h2-6,8,12,15H,7,9H2,1H3,(H,21,25)(H,26,27)/t12-,15-/m1/s1.
What are the key properties of (2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid?
(2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid has a molecular weight of 454.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[[4-(5-bromo-2-oxo-1-pyridinyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68805865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).