5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine

C18H20N4O — CID 174608249

IUPAC5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1cnc2[nH]ccc2c1N1CCNCC1
InChIInChI=1S/C18H20N4O/c1-23-16-5-3-2-4-13(16)15-12-21-18-14(6-7-20-18)17(15)22-10-8-19-9-11-22/h2-7,12,19H,8-11H2,1H3,(H,20,21)
InChIKeyYLQXVLYPZGDKEZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.65
Rot. Bonds3

About 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine

5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 174608249) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID174608249
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1cnc2[nH]ccc2c1N1CCNCC1
InChIInChI=1S/C18H20N4O/c1-23-16-5-3-2-4-13(16)15-12-21-18-14(6-7-20-18)17(15)22-10-8-19-9-11-22/h2-7,12,19H,8-11H2,1H3,(H,20,21)
InChIKeyYLQXVLYPZGDKEZ-UHFFFAOYSA-N
XLogP2.65
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211247
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211251
2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211903
3-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride
CID 155874929
4-[4-(2-methoxyphenyl)-1H-benzimidazol-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 59279362
2-(2-methoxyphenyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
CID 43828377
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 11515215
3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59699759
4-(2-methoxyphenyl)-N,N-dimethyl-3-piperazin-1-yl-2-(propylamino)benzamide
CID 22370979
5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 70973836
7-(2-methoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720236
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine (CID 174608249) is 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1cnc2[nH]ccc2c1N1CCNCC1.
What is the InChIKey of 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YLQXVLYPZGDKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-16-5-3-2-4-13(16)15-12-21-18-14(6-7-20-18)17(15)22-10-8-19-9-11-22/h2-7,12,19H,8-11H2,1H3,(H,20,21).
What are the key properties of 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 308.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 174608249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).