3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C19H22N4O — CID 10314060

IUPAC3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
InChIInChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
InChIKeyIDBBDQXTEVOOKW-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.89
Rot. Bonds4

About 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10314060) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID10314060
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
InChIInChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
InChIKeyIDBBDQXTEVOOKW-UHFFFAOYSA-N
XLogP2.89
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 10314060) is 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1.
What is the InChIKey of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IDBBDQXTEVOOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21).
What are the key properties of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 322.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10314060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).