[6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate

C20H27N3O3 — CID 69099155

IUPAC[6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate
SMILESC=CCc1c(C(=O)N(C)C)cn2c(C)c(C)nc2c1OC(=O)C(C)(C)C
InChIInChI=1S/C20H27N3O3/c1-9-10-14-15(18(24)22(7)8)11-23-13(3)12(2)21-17(23)16(14)26-19(25)20(4,5)6/h9,11H,1,10H2,2-8H3
InChIKeyNZTFAXUBIOCEIV-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.33
Rot. Bonds4

About [6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate

[6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate (PubChem CID 69099155) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is [6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate
PubChem CID69099155
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name[6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate
SMILESC=CCc1c(C(=O)N(C)C)cn2c(C)c(C)nc2c1OC(=O)C(C)(C)C
InChIInChI=1S/C20H27N3O3/c1-9-10-14-15(18(24)22(7)8)11-23-13(3)12(2)21-17(23)16(14)26-19(25)20(4,5)6/h9,11H,1,10H2,2-8H3
InChIKeyNZTFAXUBIOCEIV-UHFFFAOYSA-N
XLogP3.33
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate
CID 69099372
8-hydroxy-N,N,2,3-tetramethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 23730046
5,7-dimethyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 5168610
N,N,2,3-tetramethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
CID 11484848
5-ethenyl-N,N,4-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23731080
8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 91595073
8-hydroxy-N,N,2-trimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 69434630
8-[(2-hydroxy-7-methoxy-2,3-dihydro-1H-inden-1-yl)oxy]-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide
CID 69105851
2,3,8-trimethylimidazo[1,2-a]pyridin-6-amine
CID 82059110
(12R)-5-(hydroxymethyl)-N,N,4-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23729609
[8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 69110300
[4-[(E)-3-[4-(2,2-dimethylpropanoyloxy)-2-ethoxy-3,5-bis(prop-2-enyl)phenyl]prop-2-enoyl]phenyl] 2,2-dimethylpropanoate
CID 18178617

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate?
The IUPAC name of [6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate (CID 69099155) is [6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate is C=CCc1c(C(=O)N(C)C)cn2c(C)c(C)nc2c1OC(=O)C(C)(C)C.
What is the InChIKey of [6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate?
The InChIKey is NZTFAXUBIOCEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-9-10-14-15(18(24)22(7)8)11-23-13(3)12(2)21-17(23)16(14)26-19(25)20(4,5)6/h9,11H,1,10H2,2-8H3.
What are the key properties of [6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate?
[6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate has a molecular weight of 357.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylcarbamoyl)-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridin-8-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 69099155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).