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

C21H26N4O — CID 92591769

IUPAC3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCN1CCN(Cc2c(-c3ccc(OC)cc3)[nH]c3ncccc23)CC1
InChIInChI=1S/C21H26N4O/c1-3-24-11-13-25(14-12-24)15-19-18-5-4-10-22-21(18)23-20(19)16-6-8-17(26-2)9-7-16/h4-10H,3,11-15H2,1-2H3,(H,22,23)
InChIKeyKDEUPMZCJWSYCI-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.38
Rot. Bonds5

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

3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 92591769) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID92591769
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCN1CCN(Cc2c(-c3ccc(OC)cc3)[nH]c3ncccc23)CC1
InChIInChI=1S/C21H26N4O/c1-3-24-11-13-25(14-12-24)15-19-18-5-4-10-22-21(18)23-20(19)16-6-8-17(26-2)9-7-16/h4-10H,3,11-15H2,1-2H3,(H,22,23)
InChIKeyKDEUPMZCJWSYCI-UHFFFAOYSA-N
XLogP3.38
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-3-[(4-ethylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 95853278
3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 95853365
4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine
CID 110223547
1-[(4-ethylpiperazin-1-yl)methyl]-3-(4-methoxyphenyl)isoquinoline;methane
CID 162101226
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 55490748
1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503036
4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine
CID 110237967
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine
CID 141165774
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine
CID 22502740

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 92591769) is 3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is CCN1CCN(Cc2c(-c3ccc(OC)cc3)[nH]c3ncccc23)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KDEUPMZCJWSYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-24-11-13-25(14-12-24)15-19-18-5-4-10-22-21(18)23-20(19)16-6-8-17(26-2)9-7-16/h4-10H,3,11-15H2,1-2H3,(H,22,23).
What are the key properties of 3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 350.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92591769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).