ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

C19H20ClN5O2 — CID 59360883

IUPACethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(-c3ccccn3)nc3cc(Cl)cnc32)CC1
InChIInChI=1S/C19H20ClN5O2/c1-2-27-19(26)24-9-6-14(7-10-24)25-17-16(11-13(20)12-22-17)23-18(25)15-5-3-4-8-21-15/h3-5,8,11-12,14H,2,6-7,9-10H2,1H3
InChIKeyZTXQFRIIOYFAKZ-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.94
Rot. Bonds3

About ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 59360883) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID59360883
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Nameethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(-c3ccccn3)nc3cc(Cl)cnc32)CC1
InChIInChI=1S/C19H20ClN5O2/c1-2-27-19(26)24-9-6-14(7-10-24)25-17-16(11-13(20)12-22-17)23-18(25)15-5-3-4-8-21-15/h3-5,8,11-12,14H,2,6-7,9-10H2,1H3
InChIKeyZTXQFRIIOYFAKZ-UHFFFAOYSA-N
XLogP3.94
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050439
ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050440
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
[4-[(2-aminopyrimidin-5-yl)methyl]piperazin-1-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050263
2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 90691263
6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 82144471
[1-(furan-2-ylmethyl)piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050183
[1-[3-(5-aminopyrrol-1-ium-3-yl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 163748655
benzyl 4-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 71628881
[1-[(2-aminopyrimidin-5-yl)methyl]-4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 142821048
ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate
CID 46286590
ethyl 4-(9-hydroxy-7-pyridin-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)piperidine-1-carboxylate
CID 42276975

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (CID 59360883) is ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(n2c(-c3ccccn3)nc3cc(Cl)cnc32)CC1.
What is the InChIKey of ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is ZTXQFRIIOYFAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-2-27-19(26)24-9-6-14(7-10-24)25-17-16(11-13(20)12-22-17)23-18(25)15-5-3-4-8-21-15/h3-5,8,11-12,14H,2,6-7,9-10H2,1H3.
What are the key properties of ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 385.86 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59360883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).