ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate

C16H23N5O3 — CID 66927257

IUPACethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(=O)[nH]c3ccc(N(C)C)nc32)CC1
InChIInChI=1S/C16H23N5O3/c1-4-24-16(23)20-9-7-11(8-10-20)21-14-12(17-15(21)22)5-6-13(18-14)19(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,17,22)
InChIKeyIVDWSZPLIXPZNW-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.58
Rot. Bonds3

About ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate

ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate (PubChem CID 66927257) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
PubChem CID66927257
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Nameethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(=O)[nH]c3ccc(N(C)C)nc32)CC1
InChIInChI=1S/C16H23N5O3/c1-4-24-16(23)20-9-7-11(8-10-20)21-14-12(17-15(21)22)5-6-13(18-14)19(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,17,22)
InChIKeyIVDWSZPLIXPZNW-UHFFFAOYSA-N
XLogP1.58
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
CID 90125332
ethyl 4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate;ethyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 157147875
tert-butyl 4-(5-chloro-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 87278624
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 72544272
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
ethyl 3-[4-(6-isocyano-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 59403075
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
ethyl 3-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylate
CID 162194377
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 136560318

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate (CID 66927257) is ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2c(=O)[nH]c3ccc(N(C)C)nc32)CC1.
What is the InChIKey of ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
The InChIKey is IVDWSZPLIXPZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-4-24-16(23)20-9-7-11(8-10-20)21-14-12(17-15(21)22)5-6-13(18-14)19(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,17,22).
What are the key properties of ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66927257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).