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

C20H22N4O3S — CID 6479704

IUPAC(E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(S(=O)(=O)C(C)C)n2c1
InChIInChI=1S/C20H22N4O3S/c1-13(2)28(26,27)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+
InChIKeySJFMUYBKPGWPBV-LFIBNONCSA-N
MW398.49 g/mol
LogP2.28
Rot. Bonds5

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

(E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide (PubChem CID 6479704) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
PubChem CID6479704
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name(E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(S(=O)(=O)C(C)C)n2c1
InChIInChI=1S/C20H22N4O3S/c1-13(2)28(26,27)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+
InChIKeySJFMUYBKPGWPBV-LFIBNONCSA-N
XLogP2.28
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide (CID 6479704) is (E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[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-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide is CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(S(=O)(=O)C(C)C)n2c1.
What is the InChIKey of (E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
The InChIKey is SJFMUYBKPGWPBV-LFIBNONCSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13(2)28(26,27)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-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
(E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide has a molecular weight of 398.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-amino-3-propan-2-ylsulfonylimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 6479704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).