4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid

C21H16N4O3 — CID 66722373

IUPAC4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C21H16N4O3/c26-19(27)15-11-22-7-5-17(15)24-14-4-3-12-9-21(10-13(12)8-14)16-2-1-6-23-18(16)25-20(21)28/h1-8,11H,9-10H2,(H,22,24)(H,26,27)(H,23,25,28)
InChIKeyNABCMRCPYARAJG-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.91
Rot. Bonds3

About 4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid

4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid (PubChem CID 66722373) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid
PubChem CID66722373
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C21H16N4O3/c26-19(27)15-11-22-7-5-17(15)24-14-4-3-12-9-21(10-13(12)8-14)16-2-1-6-23-18(16)25-20(21)28/h1-8,11H,9-10H2,(H,22,24)(H,26,27)(H,23,25,28)
InChIKeyNABCMRCPYARAJG-UHFFFAOYSA-N
XLogP2.91
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-3-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrrole-2,5-dione
CID 168558814
5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 59166722
2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 71064178
(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)azanide;rubidium(1+)
CID 59166744
2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 174280777
2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-[(2-pyridin-3-ylphenyl)methyl]propanamide
CID 164629033
6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 91329449
2-[(5S)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 11712166
4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide
CID 169371950
methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid
CID 146571919
2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde
CID 143808402
N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473423

Frequently Asked Questions

What is the IUPAC name of 4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid (CID 66722373) is 4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid is O=C(O)c1cnccc1Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is NABCMRCPYARAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-19(27)15-11-22-7-5-17(15)24-14-4-3-12-9-21(10-13(12)8-14)16-2-1-6-23-18(16)25-20(21)28/h1-8,11H,9-10H2,(H,22,24)(H,26,27)(H,23,25,28).
What are the key properties of 4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid?
4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 66722373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).