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

C16H22N4O3 — CID 22293220

IUPACtert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)19-9-6-11(7-10-19)20-12-5-4-8-17-13(12)18-14(20)21/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18,21)
InChIKeyZLMQZSUGKKTLJZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.30
Rot. Bonds1

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

tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (PubChem CID 22293220) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
PubChem CID22293220
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nametert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)19-9-6-11(7-10-19)20-12-5-4-8-17-13(12)18-14(20)21/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18,21)
InChIKeyZLMQZSUGKKTLJZ-UHFFFAOYSA-N
XLogP2.30
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
CID 11737525
N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11495985
N-(1-methyl-2-oxo-5-pyridin-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848647
6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propyl-methylamino]-3-pyridinyl]methyl]-7H-purin-8-one
CID 25070829
Tert-butyl 5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 67056056
2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135559169
1-Methyl-1h-imidazo[4,5-b]pyridin-2(3h)-one
CID 854236
4-amino-1-methyl-1H,2H,3H-imidazo[4,5-c]pyridin-2-one
CID 12429097
tert-Butyl 4-(5-nitropyridin-2-yl)piperazine-1-carboxylate
CID 16217943
tert-butyl N-(5-aminopyridin-2-yl)carbamate
CID 22064440
1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one dihydrochloride
CID 22293181
1-cyclohexyl-1H,2H,3H-imidazo(4,5-b)pyridin-2-one
CID 59568642

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (CID 22293220) is tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is ZLMQZSUGKKTLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)19-9-6-11(7-10-19)20-12-5-4-8-17-13(12)18-14(20)21/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18,21).
What are the key properties of tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 22293220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).