2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C17H23N3O4 — CID 138595535

IUPAC2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOCCOC(=O)c1cnc2[nH]ccc2c1NC1CC(O)CC1C
InChIInChI=1S/C17H23N3O4/c1-10-7-11(21)8-14(10)20-15-12-3-4-18-16(12)19-9-13(15)17(22)24-6-5-23-2/h3-4,9-11,14,21H,5-8H2,1-2H3,(H2,18,19,20)
InChIKeyIOENFQOVXSNVBZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.94
Rot. Bonds6

About 2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 138595535) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID138595535
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOCCOC(=O)c1cnc2[nH]ccc2c1NC1CC(O)CC1C
InChIInChI=1S/C17H23N3O4/c1-10-7-11(21)8-14(10)20-15-12-3-4-18-16(12)19-9-13(15)17(22)24-6-5-23-2/h3-4,9-11,14,21H,5-8H2,1-2H3,(H2,18,19,20)
InChIKeyIOENFQOVXSNVBZ-UHFFFAOYSA-N
XLogP1.94
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 4-[(2,4-dimethylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 158477558
2-methoxyethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 158558177
ethyl 4-[[(1S,3S)-3-methylcyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 159438356
ethyl 4-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 70792121
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
propyl 4-[[(3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138595511
ethyl 4-[(4-methylcyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624764
ethyl 4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138595504
methyl 4-[[(3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138595580
ethyl 4-[[(1S,3S)-3-carbamoylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 67277237
ethyl 4-[[(1R,3S)-3-propylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(1S,3S)-3-propylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(1R,3R)-3-propylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[[(1S,3R)-3-propylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 159835392
methyl 4-[(5-methyl-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 157468591

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of 2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 138595535) is 2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is COCCOC(=O)c1cnc2[nH]ccc2c1NC1CC(O)CC1C.
What is the InChIKey of 2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is IOENFQOVXSNVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10-7-11(21)8-14(10)20-15-12-3-4-18-16(12)19-9-13(15)17(22)24-6-5-23-2/h3-4,9-11,14,21H,5-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[(4-hydroxy-2-methylcyclopentyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 138595535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).