(7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

C21H15FN2O5 — CID 51971920

IUPAC(7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1
InChIInChI=1S/C21H15FN2O5/c22-13-5-7-14(8-6-13)24-10-16(21(28)29)18-19(24)15(9-17(25)23-18)11-1-3-12(4-2-11)20(26)27/h1-8,10,15H,9H2,(H,23,25)(H,26,27)(H,28,29)/t15-/m1/s1
InChIKeyMFPMLHLUEGMEGC-OAHLLOKOSA-N
MW394.36 g/mol
LogP3.49
Rot. Bonds4

About (7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

(7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 51971920) has the molecular formula C21H15FN2O5 and a molecular weight of 394.36 g/mol. Its IUPAC name is (7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID51971920
Molecular FormulaC21H15FN2O5
Molecular Weight394.36 g/mol
Exact Mass394.10
IUPAC Name(7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1
InChIInChI=1S/C21H15FN2O5/c22-13-5-7-14(8-6-13)24-10-16(21(28)29)18-19(24)15(9-17(25)23-18)11-1-3-12(4-2-11)20(26)27/h1-8,10,15H,9H2,(H,23,25)(H,26,27)(H,28,29)/t15-/m1/s1
InChIKeyMFPMLHLUEGMEGC-OAHLLOKOSA-N
XLogP3.49
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-1,7-bis(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 95166494
(7S)-1-(3-fluorophenyl)-7-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51688835
7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 46948993
(7S)-7-[4-(2-amino-2-oxoethoxy)phenyl]-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51973258
(7S)-7-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51971965
(7S)-1,7-bis(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51974695
(7R)-1-(4-fluorophenyl)-5-oxo-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51971952
(7S)-1,7-bis(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 95166354
(7S)-7-(4-methoxyphenyl)-5-oxo-1-phenyl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51974988
1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51054423
(7R)-7-(4-methoxycarbonylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 95166518
(7S)-7-(2,3-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51973762

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of (7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 51971920) is (7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for (7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for (7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is O=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1.
What is the InChIKey of (7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is MFPMLHLUEGMEGC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H15FN2O5/c22-13-5-7-14(8-6-13)24-10-16(21(28)29)18-19(24)15(9-17(25)23-18)11-1-3-12(4-2-11)20(26)27/h1-8,10,15H,9H2,(H,23,25)(H,26,27)(H,28,29)/t15-/m1/s1.
What are the key properties of (7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
(7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 394.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 51971920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).