tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C17H23N3O4 — CID 10520632

IUPACtert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc2nccn12
InChIInChI=1S/C17H23N3O4/c1-16(2,3)23-14(21)20(15(22)24-17(4,5)6)13-9-7-8-12-18-10-11-19(12)13/h7-11H,1-6H3
InChIKeyQZJVOGAMOGAWNN-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.01
Rot. Bonds1

About tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 10520632) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID10520632
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nametert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc2nccn12
InChIInChI=1S/C17H23N3O4/c1-16(2,3)23-14(21)20(15(22)24-17(4,5)6)13-9-7-8-12-18-10-11-19(12)13/h7-11H,1-6H3
InChIKeyQZJVOGAMOGAWNN-UHFFFAOYSA-N
XLogP4.01
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethylimidazo[1,2-a]pyridin-5-amine
CID 130557663
tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate
CID 70358968
tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate
CID 70358969
1-imidazo[1,2-a]pyridin-5-ylethanone
CID 82596119
ethyl 2-[imidazo[1,2-a]pyridin-5-yl(propan-2-yl)amino]acetate
CID 102626836
2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid
CID 102625233
3-(imidazo[1,2-a]pyridin-5-ylamino)-2,2-dimethylpropanamide
CID 106277717
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-hydroxybenzoate
CID 71006903
tert-butyl 3-(imidazo[1,2-a]pyridin-5-ylmethyl)piperidine-1-carboxylate
CID 142415431
N'-imidazo[1,2-a]pyridin-5-yl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 102626169
tert-butyl N-(6-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;propanoic acid
CID 159290380
1-[[imidazo[1,2-a]pyridin-5-yl(methyl)amino]methyl]cyclopentan-1-ol
CID 102626671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 10520632) is tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc2nccn12.
What is the InChIKey of tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is QZJVOGAMOGAWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-16(2,3)23-14(21)20(15(22)24-17(4,5)6)13-9-7-8-12-18-10-11-19(12)13/h7-11H,1-6H3.
What are the key properties of tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 10520632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).