2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C22H24ClN3O3 — CID 133053891

IUPAC2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2cc(C(OCCN3CCCCC3)c3ccccc3Cl)[nH]c12
InChIInChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)
InChIKeyAWPYWZMMJZGPOX-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.51
Rot. Bonds7

About 2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 133053891) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID133053891
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2cc(C(OCCN3CCCCC3)c3ccccc3Cl)[nH]c12
InChIInChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)
InChIKeyAWPYWZMMJZGPOX-UHFFFAOYSA-N
XLogP4.51
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 133053891) is 2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2cc(C(OCCN3CCCCC3)c3ccccc3Cl)[nH]c12.
What is the InChIKey of 2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is AWPYWZMMJZGPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28).
What are the key properties of 2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 413.91 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 133053891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).