carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one

C22H24N2O4 — CID 159219482

IUPACcarbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one
SMILESCCOc1cccn2c(C(=O)C[C@@H](C)Cc3ccccc3)c(C)nc12.O=C=O
InChIInChI=1S/C21H24N2O2.CO2/c1-4-25-19-11-8-12-23-20(16(3)22-21(19)23)18(24)14-15(2)13-17-9-6-5-7-10-17;2-1-3/h5-12,15H,4,13-14H2,1-3H3;/t15-;/m0./s1
InChIKeyKRMRRYVBTXFFRD-RSAXXLAASA-N
MW380.44 g/mol
LogP3.91
Rot. Bonds7

About carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one

carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one (PubChem CID 159219482) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one.

Molecular Properties

Compound Namecarbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one
PubChem CID159219482
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namecarbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one
SMILESCCOc1cccn2c(C(=O)C[C@@H](C)Cc3ccccc3)c(C)nc12.O=C=O
InChIInChI=1S/C21H24N2O2.CO2/c1-4-25-19-11-8-12-23-20(16(3)22-21(19)23)18(24)14-15(2)13-17-9-6-5-7-10-17;2-1-3/h5-12,15H,4,13-14H2,1-3H3;/t15-;/m0./s1
InChIKeyKRMRRYVBTXFFRD-RSAXXLAASA-N
XLogP3.91
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid
CID 147175818
(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(hydroxymethyl)-4-(2-methylphenyl)butan-1-one
CID 162221809
(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 158228961
2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid
CID 159230015
(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-5-oxo-3-thiophen-3-ylpentanoic acid
CID 157090217
8-ethoxy-2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 110659989
methyl 3-[(2R)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutan-2-yl]benzoate
CID 159237758
(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 147384263
8-ethoxy-2-methyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090368
2-(N-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)anilino)acetic acid
CID 90090164
(3R)-3-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 152820733
8-ethoxy-N-(4-iodophenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 110659980

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one?
The IUPAC name of carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one (CID 159219482) is carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one.
What is the SMILES notation for carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one?
The canonical SMILES for carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one is CCOc1cccn2c(C(=O)C[C@@H](C)Cc3ccccc3)c(C)nc12.O=C=O.
What is the InChIKey of carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one?
The InChIKey is KRMRRYVBTXFFRD-RSAXXLAASA-N. The full InChI is InChI=1S/C21H24N2O2.CO2/c1-4-25-19-11-8-12-23-20(16(3)22-21(19)23)18(24)14-15(2)13-17-9-6-5-7-10-17;2-1-3/h5-12,15H,4,13-14H2,1-3H3;/t15-;/m0./s1.
What are the key properties of carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one?
carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one has a molecular weight of 380.44 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one is sourced from PubChem (CID 159219482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).