2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone

C19H25N5O — CID 175083243

IUPAC2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone
SMILESO=C=CN1CCN(c2ccc3ccn(CCN4CCCC4)c3n2)CC1
InChIInChI=1S/C19H25N5O/c25-16-15-22-9-12-23(13-10-22)18-4-3-17-5-8-24(19(17)20-18)14-11-21-6-1-2-7-21/h3-5,8,15H,1-2,6-7,9-14H2
InChIKeyQPUKIBMBEJIOHV-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.60
Rot. Bonds5

About 2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone

2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone (PubChem CID 175083243) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone.

Molecular Properties

Compound Name2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone
PubChem CID175083243
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone
SMILESO=C=CN1CCN(c2ccc3ccn(CCN4CCCC4)c3n2)CC1
InChIInChI=1S/C19H25N5O/c25-16-15-22-9-12-23(13-10-22)18-4-3-17-5-8-24(19(17)20-18)14-11-21-6-1-2-7-21/h3-5,8,15H,1-2,6-7,9-14H2
InChIKeyQPUKIBMBEJIOHV-UHFFFAOYSA-N
XLogP1.60
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
CID 139415693
6-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
CID 139415838
2-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 139415984
N-cyclopentyl-2-(6-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161251
7-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]-2-oxa-7-azaspiro[3.5]nonane
CID 139415704
6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 139425813
N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161284
2-[6-(azepan-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 53161277
6-[4-(4-ethylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrazolo[5,4-b]pyridine
CID 139425819
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine
CID 139415708
N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161279

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone?
The IUPAC name of 2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone (CID 175083243) is 2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone.
What is the SMILES notation for 2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone?
The canonical SMILES for 2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone is O=C=CN1CCN(c2ccc3ccn(CCN4CCCC4)c3n2)CC1.
What is the InChIKey of 2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone?
The InChIKey is QPUKIBMBEJIOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-16-15-22-9-12-23(13-10-22)18-4-3-17-5-8-24(19(17)20-18)14-11-21-6-1-2-7-21/h3-5,8,15H,1-2,6-7,9-14H2.
What are the key properties of 2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone?
2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone has a molecular weight of 339.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone is sourced from PubChem (CID 175083243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).