ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium

C21H31N3O6U — CID 144870410

IUPACethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium
SMILESCC.COC(=O)c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2nccn2c1.[U]
InChIInChI=1S/C19H25N3O6.C2H6.U/c1-18(2,3)27-16(24)22(17(25)28-19(4,5)6)13-10-12(15(23)26-7)11-21-9-8-20-14(13)21;1-2;/h8-11H,1-7H3;1-2H3;
InChIKeyFEYKVSDAIYWIPD-UHFFFAOYSA-N
MW659.52 g/mol
LogP4.82
Rot. Bonds2

About ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium

ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium (PubChem CID 144870410) has the molecular formula C21H31N3O6U and a molecular weight of 659.52 g/mol. Its IUPAC name is ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium.

Molecular Properties

Compound Nameethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium
PubChem CID144870410
Molecular FormulaC21H31N3O6U
Molecular Weight659.52 g/mol
Exact Mass659.27
IUPAC Nameethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium
SMILESCC.COC(=O)c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2nccn2c1.[U]
InChIInChI=1S/C19H25N3O6.C2H6.U/c1-18(2,3)27-16(24)22(17(25)28-19(4,5)6)13-10-12(15(23)26-7)11-21-9-8-20-14(13)21;1-2;/h8-11H,1-7H3;1-2H3;
InChIKeyFEYKVSDAIYWIPD-UHFFFAOYSA-N
XLogP4.82
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.52
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate
CID 141203596
methyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-bromo-4-fluorobenzoate
CID 177332221
methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
CID 156664169
1-O-tert-butyl 3-O-methyl 5-bromopyrrole-1,3-dicarboxylate
CID 46779120
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-hydroxybenzoate
CID 71006903
tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate
CID 133061951
methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 59273999
1-O-tert-butyl 5-O-methyl pyrazole-1,5-dicarboxylate
CID 141109571
tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate
CID 139447783
1-(8-chloroimidazo[1,2-a]pyridin-6-yl)ethanone
CID 154727087
methyl 2-methyl-4-[8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]-6-phenoxyimidazo[1,2-a]pyridin-7-yl]benzoate
CID 70818080
tert-butyl 4-(6-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
CID 10425966

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium?
The IUPAC name of ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium (CID 144870410) is ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium.
What is the SMILES notation for ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium?
The canonical SMILES for ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium is CC.COC(=O)c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2nccn2c1.[U].
What is the InChIKey of ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium?
The InChIKey is FEYKVSDAIYWIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6.C2H6.U/c1-18(2,3)27-16(24)22(17(25)28-19(4,5)6)13-10-12(15(23)26-7)11-21-9-8-20-14(13)21;1-2;/h8-11H,1-7H3;1-2H3;.
What are the key properties of ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium?
ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium has a molecular weight of 659.52 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyridine-6-carboxylate;uranium is sourced from PubChem (CID 144870410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).