2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine

C16H25N5O — CID 19911562

IUPAC2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
SMILESCCOCCn1c(CN2CCCNCC2)nc2cccnc21
InChIInChI=1S/C16H25N5O/c1-2-22-12-11-21-15(13-20-9-4-6-17-8-10-20)19-14-5-3-7-18-16(14)21/h3,5,7,17H,2,4,6,8-13H2,1H3
InChIKeyDGRBEKTUTHLVDD-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.26
Rot. Bonds6

About 2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine

2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine (PubChem CID 19911562) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
PubChem CID19911562
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
SMILESCCOCCn1c(CN2CCCNCC2)nc2cccnc21
InChIInChI=1S/C16H25N5O/c1-2-22-12-11-21-15(13-20-9-4-6-17-8-10-20)19-14-5-3-7-18-16(14)21/h3,5,7,17H,2,4,6,8-13H2,1H3
InChIKeyDGRBEKTUTHLVDD-UHFFFAOYSA-N
XLogP1.26
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 63757473
2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile
CID 19911521
3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 14855700
2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
CID 62823945
2-[(4-methylpiperazin-1-yl)methyl]-3-(2-prop-2-ynoxyethyl)imidazo[4,5-b]pyridine
CID 19911550
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
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-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 53299080
bis(but-2-enedioic acid);3-(2-ethoxyethyl)-2-[4-(4-methylpiperazin-1-yl)butyl]imidazo[4,5-b]pyridine
CID 67896497
1-[(2-ethoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 83896731
8-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-8-aza-5-azoniaspiro[4.6]undecane bromide
CID 10836708
2-(1,4-diazepan-1-ylmethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 58780378

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine (CID 19911562) is 2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine is CCOCCn1c(CN2CCCNCC2)nc2cccnc21.
What is the InChIKey of 2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine?
The InChIKey is DGRBEKTUTHLVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-2-22-12-11-21-15(13-20-9-4-6-17-8-10-20)19-14-5-3-7-18-16(14)21/h3,5,7,17H,2,4,6,8-13H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine?
2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine has a molecular weight of 303.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 19911562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).