tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate

C16H23N5O3 — CID 169121094

IUPACtert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate
SMILESCn1c(=O)[nH]c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21
InChIInChI=1S/C16H23N5O3/c1-16(2,3)24-15(23)21-9-7-20(8-10-21)13-12-11(5-6-17-13)18-14(22)19(12)4/h5-6H,7-10H2,1-4H3,(H,18,22)
InChIKeyBECNIZOKILTKFA-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.32
Rot. Bonds1

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

tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate (PubChem CID 169121094) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate
PubChem CID169121094
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Nametert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate
SMILESCn1c(=O)[nH]c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21
InChIInChI=1S/C16H23N5O3/c1-16(2,3)24-15(23)21-9-7-20(8-10-21)13-12-11(5-6-17-13)18-14(22)19(12)4/h5-6H,7-10H2,1-4H3,(H,18,22)
InChIKeyBECNIZOKILTKFA-UHFFFAOYSA-N
XLogP1.32
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl (4S)-3,3-difluoro-4-[4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 169120581
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-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
tert-butyl 4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperazine-1-carboxylate
CID 58247494
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 54412110
tert-butyl 4-(3-fluoro-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 171323898
tert-butyl 4-(6-chloroisoquinolin-1-yl)piperazine-1-carboxylate
CID 176901250
tert-butyl 4-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-pyridinyl]piperazine-1-carboxylate
CID 87386192
tert-butyl 4-(4-methoxycarbonyl-3-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 165495551
tert-butyl 4-(3-cyanopyrazin-2-yl)-1,4-diazepane-1-carboxylate
CID 133283889
tert-butyl 4-[4-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 125180362

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate (CID 169121094) is tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate is Cn1c(=O)[nH]c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21.
What is the InChIKey of tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate?
The InChIKey is BECNIZOKILTKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-16(2,3)24-15(23)21-9-7-20(8-10-21)13-12-11(5-6-17-13)18-14(22)19(12)4/h5-6H,7-10H2,1-4H3,(H,18,22).
What are the key properties of tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methyl-2-oxo-1H-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 169121094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).