2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile

C17H24N6O — CID 19911521

IUPAC2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile
SMILESCCOCCn1c(CN2CCN(CC#N)CC2)nc2cccnc21
InChIInChI=1S/C17H24N6O/c1-2-24-13-12-23-16(20-15-4-3-6-19-17(15)23)14-22-10-8-21(7-5-18)9-11-22/h3-4,6H,2,7-14H2,1H3
InChIKeyQMVUOJJPTFKYQC-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.11
Rot. Bonds7

About 2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile

2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile (PubChem CID 19911521) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile
PubChem CID19911521
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile
SMILESCCOCCn1c(CN2CCN(CC#N)CC2)nc2cccnc21
InChIInChI=1S/C17H24N6O/c1-2-24-13-12-23-16(20-15-4-3-6-19-17(15)23)14-22-10-8-21(7-5-18)9-11-22/h3-4,6H,2,7-14H2,1H3
InChIKeyQMVUOJJPTFKYQC-UHFFFAOYSA-N
XLogP1.11
TPSA70.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
CID 19911562
2-[(4-methylpiperazin-1-yl)methyl]-3-(2-prop-2-ynoxyethyl)imidazo[4,5-b]pyridine
CID 19911550
3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 14855700
N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]furan-3-carboxamide;oxalic acid
CID 131716500
3-[3-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one;oxalic acid
CID 19911476
bis(but-2-enedioic acid);3-(2-ethoxyethyl)-2-[4-(4-methylpiperazin-1-yl)butyl]imidazo[4,5-b]pyridine
CID 67896497
2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 19911489
3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 63757473
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
8-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-8-aza-5-azoniaspiro[4.6]undecane bromide
CID 10836708

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile (CID 19911521) is 2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile is CCOCCn1c(CN2CCN(CC#N)CC2)nc2cccnc21.
What is the InChIKey of 2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile?
The InChIKey is QMVUOJJPTFKYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-2-24-13-12-23-16(20-15-4-3-6-19-17(15)23)14-22-10-8-21(7-5-18)9-11-22/h3-4,6H,2,7-14H2,1H3.
What are the key properties of 2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile?
2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile has a molecular weight of 328.42 g/mol, XLogP of 1.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile is sourced from PubChem (CID 19911521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).