tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate

C18H26BrN5O3 — CID 71017837

IUPACtert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate
SMILESCCn1c(=O)n(C)c2c(Br)cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21
InChIInChI=1S/C18H26BrN5O3/c1-6-24-14-13(21(5)16(24)25)12(19)11-20-15(14)22-7-9-23(10-8-22)17(26)27-18(2,3)4/h11H,6-10H2,1-5H3
InChIKeyAIZXABOERHRNEP-UHFFFAOYSA-N
MW440.34 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate (PubChem CID 71017837) has the molecular formula C18H26BrN5O3 and a molecular weight of 440.34 g/mol. Its IUPAC name is tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate
PubChem CID71017837
Molecular FormulaC18H26BrN5O3
Molecular Weight440.34 g/mol
Exact Mass439.12
IUPAC Nametert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate
SMILESCCn1c(=O)n(C)c2c(Br)cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21
InChIInChI=1S/C18H26BrN5O3/c1-6-24-14-13(21(5)16(24)25)12(19)11-20-15(14)22-7-9-23(10-8-22)17(26)27-18(2,3)4/h11H,6-10H2,1-5H3
InChIKeyAIZXABOERHRNEP-UHFFFAOYSA-N
XLogP2.57
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylate
CID 91527425
tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate
CID 169121094
tert-butyl 4-(5-bromo-2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate
CID 146251961
tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate
CID 58447020
tert-butyl 4-(5-bromo-3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 66524905
tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate
CID 169219695
tert-butyl 4-(3-bromo-4-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 176508616
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 169205005
tert-butyl 4-(5-iodo-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 156898021
tert-butyl 4-[5-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67401213
tert-butyl 4-(6-bromothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062855

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate (CID 71017837) is tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate is CCn1c(=O)n(C)c2c(Br)cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21.
What is the InChIKey of tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate?
The InChIKey is AIZXABOERHRNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN5O3/c1-6-24-14-13(21(5)16(24)25)12(19)11-20-15(14)22-7-9-23(10-8-22)17(26)27-18(2,3)4/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate has a molecular weight of 440.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-bromo-3-ethyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 71017837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).