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

C19H16N2O4S — CID 51971529

IUPAC(7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccsc2)CC(=O)N3)cc1
InChIInChI=1S/C19H16N2O4S/c1-25-13-4-2-12(3-5-13)21-9-15(19(23)24)17-18(21)14(8-16(22)20-17)11-6-7-26-10-11/h2-7,9-10,14H,8H2,1H3,(H,20,22)(H,23,24)/t14-/m1/s1
InChIKeyPLQSRJZQYLDPDL-CQSZACIVSA-N
MW368.41 g/mol
LogP3.72
Rot. Bonds4

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

(7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 51971529) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is (7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID51971529
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name(7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccsc2)CC(=O)N3)cc1
InChIInChI=1S/C19H16N2O4S/c1-25-13-4-2-12(3-5-13)21-9-15(19(23)24)17-18(21)14(8-16(22)20-17)11-6-7-26-10-11/h2-7,9-10,14H,8H2,1H3,(H,20,22)(H,23,24)/t14-/m1/s1
InChIKeyPLQSRJZQYLDPDL-CQSZACIVSA-N
XLogP3.72
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-1,7-bis(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51974695
(7S)-7-(4-methoxyphenyl)-5-oxo-1-phenyl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51974988
(7S)-7-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51974398
(7S)-7-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51973336
(7R)-1,7-bis(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 95166494
(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-(3-chlorophenyl)-7-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51688869
(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
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-carboxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51971920
(7S)-7-(2,3-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 51973762
(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

Frequently Asked Questions

What is the IUPAC name of (7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of (7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 51971529) is (7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for (7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for (7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccsc2)CC(=O)N3)cc1.
What is the InChIKey of (7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is PLQSRJZQYLDPDL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-25-13-4-2-12(3-5-13)21-9-15(19(23)24)17-18(21)14(8-16(22)20-17)11-6-7-26-10-11/h2-7,9-10,14H,8H2,1H3,(H,20,22)(H,23,24)/t14-/m1/s1.
What are the key properties of (7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
(7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 368.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-(4-methoxyphenyl)-5-oxo-7-thiophen-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 51971529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).