3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate

C97H82N20O12S2 — CID 161032833

IUPAC3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCC(=O)Nc1c(-c2ccccc2)nc2c(C(=O)NCc3ccc4nc(C)sc4c3)cccn12.CC(=O)Nc1c(-c2ccccc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.CC(=O)Nc1c(-c2ccccc2)nc2c(C(=O)O)cccn12.COC(=O)c1cccn2c(N)c(-c3ccccc3)nc12.COC(=O)c1cccn2c(NC(C)=O)c(-c3ccccc3)nc12
InChIInChI=1S/C25H21N5O2S.C24H20N6O2S.C17H15N3O3.C16H13N3O3.C15H13N3O2/c1-15(31)27-24-22(18-7-4-3-5-8-18)29-23-19(9-6-12-30(23)24)25(32)26-14-17-10-11-20-21(13-17)33-16(2)28-20;1-14(31)27-22-20(16-6-3-2-4-7-16)29-21-17(8-5-11-30(21)22)23(32)26-13-15-9-10-18-19(12-15)33-24(25)28-18;1-11(21)18-16-14(12-7-4-3-5-8-12)19-15-13(17(22)23-2)9-6-10-20(15)16;1-10(20)17-15-13(11-6-3-2-4-7-11)18-14-12(16(21)22)8-5-9-19(14)15;1-20-15(19)11-8-5-9-18-13(16)12(17-14(11)18)10-6-3-2-4-7-10/h3-13H,14H2,1-2H3,(H,26,32)(H,27,31);2-12H,13H2,1H3,(H2,25,28)(H,26,32)(H,27,31);3-10H,1-2H3,(H,18,21);2-9H,1H3,(H,17,20)(H,21,22);2-9H,16H2,1H3
InChIKeyTZVUEDSXEMZFKU-UHFFFAOYSA-N
MW1783.98 g/mol
LogP16.66
Rot. Bonds18

About 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate

3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 161032833) has the molecular formula C97H82N20O12S2 and a molecular weight of 1783.98 g/mol. Its IUPAC name is 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Name3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID161032833
Molecular FormulaC97H82N20O12S2
Molecular Weight1783.98 g/mol
Exact Mass1782.59
IUPAC Name3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCC(=O)Nc1c(-c2ccccc2)nc2c(C(=O)NCc3ccc4nc(C)sc4c3)cccn12.CC(=O)Nc1c(-c2ccccc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.CC(=O)Nc1c(-c2ccccc2)nc2c(C(=O)O)cccn12.COC(=O)c1cccn2c(N)c(-c3ccccc3)nc12.COC(=O)c1cccn2c(NC(C)=O)c(-c3ccccc3)nc12
InChIInChI=1S/C25H21N5O2S.C24H20N6O2S.C17H15N3O3.C16H13N3O3.C15H13N3O2/c1-15(31)27-24-22(18-7-4-3-5-8-18)29-23-19(9-6-12-30(23)24)25(32)26-14-17-10-11-20-21(13-17)33-16(2)28-20;1-14(31)27-22-20(16-6-3-2-4-7-16)29-21-17(8-5-11-30(21)22)23(32)26-13-15-9-10-18-19(12-15)33-24(25)28-18;1-11(21)18-16-14(12-7-4-3-5-8-12)19-15-13(17(22)23-2)9-6-10-20(15)16;1-10(20)17-15-13(11-6-3-2-4-7-11)18-14-12(16(21)22)8-5-9-19(14)15;1-20-15(19)11-8-5-9-18-13(16)12(17-14(11)18)10-6-3-2-4-7-10/h3-13H,14H2,1-2H3,(H,26,32)(H,27,31);2-12H,13H2,1H3,(H2,25,28)(H,26,32)(H,27,31);3-10H,1-2H3,(H,18,21);2-9H,1H3,(H,17,20)(H,21,22);2-9H,16H2,1H3
InChIKeyTZVUEDSXEMZFKU-UHFFFAOYSA-N
XLogP16.66
TPSA428.82 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.98
LogP ≤ 516.66
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate (CID 161032833) is 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate is CC(=O)Nc1c(-c2ccccc2)nc2c(C(=O)NCc3ccc4nc(C)sc4c3)cccn12.CC(=O)Nc1c(-c2ccccc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.CC(=O)Nc1c(-c2ccccc2)nc2c(C(=O)O)cccn12.COC(=O)c1cccn2c(N)c(-c3ccccc3)nc12.COC(=O)c1cccn2c(NC(C)=O)c(-c3ccccc3)nc12.
What is the InChIKey of 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is TZVUEDSXEMZFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S.C24H20N6O2S.C17H15N3O3.C16H13N3O3.C15H13N3O2/c1-15(31)27-24-22(18-7-4-3-5-8-18)29-23-19(9-6-12-30(23)24)25(32)26-14-17-10-11-20-21(13-17)33-16(2)28-20;1-14(31)27-22-20(16-6-3-2-4-7-16)29-21-17(8-5-11-30(21)22)23(32)26-13-15-9-10-18-19(12-15)33-24(25)28-18;1-11(21)18-16-14(12-7-4-3-5-8-12)19-15-13(17(22)23-2)9-6-10-20(15)16;1-10(20)17-15-13(11-6-3-2-4-7-11)18-14-12(16(21)22)8-5-9-19(14)15;1-20-15(19)11-8-5-9-18-13(16)12(17-14(11)18)10-6-3-2-4-7-10/h3-13H,14H2,1-2H3,(H,26,32)(H,27,31);2-12H,13H2,1H3,(H2,25,28)(H,26,32)(H,27,31);3-10H,1-2H3,(H,18,21);2-9H,1H3,(H,17,20)(H,21,22);2-9H,16H2,1H3.
What are the key properties of 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate?
3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 1783.98 g/mol, XLogP of 16.66, 18 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide;3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;methyl 3-acetamido-2-phenylimidazo[1,2-a]pyridine-8-carboxylate;methyl 3-amino-2-phenylimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 161032833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).