tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate

C19H19N7O3 — CID 146088919

IUPACtert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(-c2nc(-c3cnc4cnccn34)no2)ccn1
InChIInChI=1S/C19H19N7O3/c1-19(2,3)28-18(27)23-9-13-8-12(4-5-21-13)17-24-16(25-29-17)14-10-22-15-11-20-6-7-26(14)15/h4-8,10-11H,9H2,1-3H3,(H,23,27)
InChIKeyDDVFJGHISNZQGV-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.87
Rot. Bonds4

About tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate

tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate (PubChem CID 146088919) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate
PubChem CID146088919
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Nametert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(-c2nc(-c3cnc4cnccn34)no2)ccn1
InChIInChI=1S/C19H19N7O3/c1-19(2,3)28-18(27)23-9-13-8-12(4-5-21-13)17-24-16(25-29-17)14-10-22-15-11-20-6-7-26(14)15/h4-8,10-11H,9H2,1-3H3,(H,23,27)
InChIKeyDDVFJGHISNZQGV-UHFFFAOYSA-N
XLogP2.87
TPSA120.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate with MolForge

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Related Compounds

4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]benzoic acid
CID 18617692
tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate
CID 177333870
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
CID 156818686
tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 67026126
tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate
CID 177357457
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
tert-butyl N-[2-[benzyl(imidazo[1,2-a]pyrazine-3-carbonyl)amino]ethyl]carbamate
CID 171680274
tert-butyl N-[[4-(8-bromoisoquinolin-6-yl)phenyl]methyl]carbamate
CID 67402228
tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate
CID 101236450
tert-butyl N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 91759510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate (CID 146088919) is tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(-c2nc(-c3cnc4cnccn34)no2)ccn1.
What is the InChIKey of tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate?
The InChIKey is DDVFJGHISNZQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-19(2,3)28-18(27)23-9-13-8-12(4-5-21-13)17-24-16(25-29-17)14-10-22-15-11-20-6-7-26(14)15/h4-8,10-11H,9H2,1-3H3,(H,23,27).
What are the key properties of tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate has a molecular weight of 393.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 146088919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).