(E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide

C20H22N4OS — CID 6479703

IUPAC(E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(SC(C)C)n2c1
InChIInChI=1S/C20H22N4OS/c1-13(2)26-20-19(21)23-17-10-9-15(12-24(17)20)16(11-18(25)22-3)14-7-5-4-6-8-14/h4-13H,21H2,1-3H3,(H,22,25)/b16-11+
InChIKeyMAHNNHVMAARTAB-LFIBNONCSA-N
MW366.49 g/mol
LogP3.59
Rot. Bonds5

About (E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide

(E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide (PubChem CID 6479703) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
PubChem CID6479703
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(SC(C)C)n2c1
InChIInChI=1S/C20H22N4OS/c1-13(2)26-20-19(21)23-17-10-9-15(12-24(17)20)16(11-18(25)22-3)14-7-5-4-6-8-14/h4-13H,21H2,1-3H3,(H,22,25)/b16-11+
InChIKeyMAHNNHVMAARTAB-LFIBNONCSA-N
XLogP3.59
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide (CID 6479703) is (E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide is CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(SC(C)C)n2c1.
What is the InChIKey of (E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
The InChIKey is MAHNNHVMAARTAB-LFIBNONCSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-13(2)26-20-19(21)23-17-10-9-15(12-24(17)20)16(11-18(25)22-3)14-7-5-4-6-8-14/h4-13H,21H2,1-3H3,(H,22,25)/b16-11+.
What are the key properties of (E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
(E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide has a molecular weight of 366.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-amino-3-propan-2-ylsulfanylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 6479703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).