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

C29H38N8O5 — CID 157147875

IUPACethyl 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
SMILESCCOC(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1.CCOC(=O)N1CCC(n2c(C)nc3cccnc32)CC1
InChIInChI=1S/C15H20N4O2.C14H18N4O3/c1-3-21-15(20)18-9-6-12(7-10-18)19-11(2)17-13-5-4-8-16-14(13)19;1-2-21-14(20)17-8-5-10(6-9-17)18-12-11(16-13(18)19)4-3-7-15-12/h4-5,8,12H,3,6-7,9-10H2,1-2H3;3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,19)
InChIKeyAKXIZPOERVQRHC-UHFFFAOYSA-N
MW578.67 g/mol
LogP4.05
Rot. Bonds4

About 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

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 (PubChem CID 157147875) has the molecular formula C29H38N8O5 and a molecular weight of 578.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID157147875
Molecular FormulaC29H38N8O5
Molecular Weight578.67 g/mol
Exact Mass578.30
IUPAC Nameethyl 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
SMILESCCOC(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1.CCOC(=O)N1CCC(n2c(C)nc3cccnc32)CC1
InChIInChI=1S/C15H20N4O2.C14H18N4O3/c1-3-21-15(20)18-9-6-12(7-10-18)19-11(2)17-13-5-4-8-16-14(13)19;1-2-21-14(20)17-8-5-10(6-9-17)18-12-11(16-13(18)19)4-3-7-15-12/h4-5,8,12H,3,6-7,9-10H2,1-2H3;3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,19)
InChIKeyAKXIZPOERVQRHC-UHFFFAOYSA-N
XLogP4.05
TPSA140.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.67
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050440
ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050439
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate
CID 46286590
3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 136560318
ethyl 2-[[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108474
ethyl 4-[5-(dimethylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
CID 66927257
ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
CID 90125332
2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 53186816
3-methoxy-1-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108265
3-methoxy-1-[(3S)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108266

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1.CCOC(=O)N1CCC(n2c(C)nc3cccnc32)CC1.
What is the InChIKey of 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?
The InChIKey is AKXIZPOERVQRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.C14H18N4O3/c1-3-21-15(20)18-9-6-12(7-10-18)19-11(2)17-13-5-4-8-16-14(13)19;1-2-21-14(20)17-8-5-10(6-9-17)18-12-11(16-13(18)19)4-3-7-15-12/h4-5,8,12H,3,6-7,9-10H2,1-2H3;3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,19).
What are the key properties of 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?
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 has a molecular weight of 578.67 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157147875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).