8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane

C44H44N10O3S2 — CID 144870466

About 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane

8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane (PubChem CID 144870466) has the molecular formula C44H44N10O3S2 and a molecular weight of 825.04 g/mol. Its IUPAC name is 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane.

Molecular Properties

• Compound Name: 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane
• PubChem CID: 144870466
• Molecular Formula: C44H44N10O3S2
• Molecular Weight: 825.04 g/mol
• Exact Mass: 824.30
• IUPAC Name: 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane
• SMILES: CC.CC1=CCC(c2cnc3c(Nc4ccccc4)cc(C(=O)O)cn23)S1.Cc1ccc(-c2cnc3c(Nc4ccccc4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1
• InChI: InChI=1S/C23H21N7OS.C19H17N3O2S.C2H6/c1-14-8-9-20(32-14)19-11-24-22-18(28-17-6-4-3-5-7-17)10-16(12-30(19)22)23(31)27-15(2)21-25-13-26-29-21;1-12-7-8-17(25-12)16-10-20-18-15(21-14-5-3-2-4-6-14)9-13(19(23)24)11-22(16)18;1-2/h3-13,15,28H,1-2H3,(H,27,31)(H,25,26,29);2-7,9-11,17,21H,8H2,1H3,(H,23,24);1-2H3
• InChIKey: HJPPTHCWUBRSSM-UHFFFAOYSA-N
• XLogP: 10.61
• TPSA: 166.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	825.04
LogP ≤ 5	10.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane?

The IUPAC name of 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane (CID 144870466) is 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane.

What is the SMILES notation for 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane?

The canonical SMILES for 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane is CC.CC1=CCC(c2cnc3c(Nc4ccccc4)cc(C(=O)O)cn23)S1.Cc1ccc(-c2cnc3c(Nc4ccccc4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1.

What is the InChIKey of 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane?

The InChIKey is HJPPTHCWUBRSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7OS.C19H17N3O2S.C2H6/c1-14-8-9-20(32-14)19-11-24-22-18(28-17-6-4-3-5-7-17)10-16(12-30(19)22)23(31)27-15(2)21-25-13-26-29-21;1-12-7-8-17(25-12)16-10-20-18-15(21-14-5-3-2-4-6-14)9-13(19(23)24)11-22(16)18;1-2/h3-13,15,28H,1-2H3,(H,27,31)(H,25,26,29);2-7,9-11,17,21H,8H2,1H3,(H,23,24);1-2H3.

What are the key properties of 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane?

8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane has a molecular weight of 825.04 g/mol, XLogP of 10.61, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-anilino-3-(5-methyl-2,3-dihydrothiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-anilino-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane is sourced from PubChem (CID 144870466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).