carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten

C18H33N4OW- — CID 157284445

IUPACcarbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten
SMILESCC.CC.CCN1CC(n2c(=O)n(CC)c3cccnc32)C1.[CH3-].[W]
InChIInChI=1S/C13H18N4O.2C2H6.CH3.W/c1-3-15-8-10(9-15)17-12-11(6-5-7-14-12)16(4-2)13(17)18;2*1-2;;/h5-7,10H,3-4,8-9H2,1-2H3;2*1-2H3;1H3;/q;;;-1;
InChIKeyCDHHBTHAYXHNAF-UHFFFAOYSA-N
MW505.33 g/mol
LogP3.59
Rot. Bonds3

About carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten

carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten (PubChem CID 157284445) has the molecular formula C18H33N4OW- and a molecular weight of 505.33 g/mol. Its IUPAC name is carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten.

Molecular Properties

Compound Namecarbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten
PubChem CID157284445
Molecular FormulaC18H33N4OW-
Molecular Weight505.33 g/mol
Exact Mass505.22
IUPAC Namecarbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten
SMILESCC.CC.CCN1CC(n2c(=O)n(CC)c3cccnc32)C1.[CH3-].[W]
InChIInChI=1S/C13H18N4O.2C2H6.CH3.W/c1-3-15-8-10(9-15)17-12-11(6-5-7-14-12)16(4-2)13(17)18;2*1-2;;/h5-7,10H,3-4,8-9H2,1-2H3;2*1-2H3;1H3;/q;;;-1;
InChIKeyCDHHBTHAYXHNAF-UHFFFAOYSA-N
XLogP3.59
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde
CID 58710621
1-ethyl-3-[(3S)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one
CID 54581236
3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile
CID 46950432
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-propan-2-ylacetamide
CID 53159374
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 71841294
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(3-ethylphenyl)acetamide
CID 53159371
3-(3-aminocyclobutyl)-1-methylimidazo[4,5-b]pyridin-2-one;dihydrochloride
CID 86694219
(3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide
CID 91909929
1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one
CID 171141968
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 71841297
2-[3-[4-methyl-5-(propan-2-ylsulfonylmethyl)cycloheptyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 90869555
ethane;3-ethyl-1H-imidazo[4,5-b]pyridin-2-one
CID 91018221

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten?
The IUPAC name of carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten (CID 157284445) is carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten.
What is the SMILES notation for carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten?
The canonical SMILES for carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten is CC.CC.CCN1CC(n2c(=O)n(CC)c3cccnc32)C1.[CH3-].[W].
What is the InChIKey of carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten?
The InChIKey is CDHHBTHAYXHNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.2C2H6.CH3.W/c1-3-15-8-10(9-15)17-12-11(6-5-7-14-12)16(4-2)13(17)18;2*1-2;;/h5-7,10H,3-4,8-9H2,1-2H3;2*1-2H3;1H3;/q;;;-1;.
What are the key properties of carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten?
carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten has a molecular weight of 505.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten is sourced from PubChem (CID 157284445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).