5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

C14H17N3O3 — CID 18754120

IUPAC5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(OCCN3CCCC3)nc12
InChIInChI=1S/C14H17N3O3/c18-14(19)10-9-15-11-3-4-12(16-13(10)11)20-8-7-17-5-1-2-6-17/h3-4,9,15H,1-2,5-8H2,(H,18,19)
InChIKeyPCUAVMRAYXEDPS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.74
Rot. Bonds5

About 5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 18754120) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID18754120
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(OCCN3CCCC3)nc12
InChIInChI=1S/C14H17N3O3/c18-14(19)10-9-15-11-3-4-12(16-13(10)11)20-8-7-17-5-1-2-6-17/h3-4,9,15H,1-2,5-8H2,(H,18,19)
InChIKeyPCUAVMRAYXEDPS-UHFFFAOYSA-N
XLogP1.74
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 18754129
5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 10216099
2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid
CID 107554889
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 79793888
[6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methanol
CID 62239546
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide
CID 68758637
6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 169229580
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
[6-(2-pyrrolidin-1-ylethoxy)pyridazin-3-yl]methanol
CID 61255515

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 18754120) is 5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2ccc(OCCN3CCCC3)nc12.
What is the InChIKey of 5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is PCUAVMRAYXEDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(19)10-9-15-11-3-4-12(16-13(10)11)20-8-7-17-5-1-2-6-17/h3-4,9,15H,1-2,5-8H2,(H,18,19).
What are the key properties of 5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 18754120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).