N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid

C51H42F6N10O5S2 — CID 158553728

About N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid

N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid (PubChem CID 158553728) has the molecular formula C51H42F6N10O5S2 and a molecular weight of 1053.08 g/mol. Its IUPAC name is N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid
• PubChem CID: 158553728
• Molecular Formula: C51H42F6N10O5S2
• Molecular Weight: 1053.08 g/mol
• Exact Mass: 1052.27
• IUPAC Name: N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid
• SMILES: C.CC(=O)c1cnc2c(N)c(-c3ccccc3)ccn12.CC(=O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)s3)c(-c3ccccc3)ccn12.Cn1ccc(-c2cc(C(=O)O)sc2C(F)(F)F)n1
• InChI: InChI=1S/C25H18F3N5O2S.C15H13N3O.C10H7F3N2O2S.CH4/c1-14(34)19-13-29-23-21(16(8-11-33(19)23)15-6-4-3-5-7-15)30-24(35)20-12-17(18-9-10-32(2)31-18)22(36-20)25(26,27)28;1-10(19)13-9-17-15-14(16)12(7-8-18(13)15)11-5-3-2-4-6-11;1-15-3-2-6(14-15)5-4-7(9(16)17)18-8(5)10(11,12)13;/h3-13H,1-2H3,(H,30,35);2-9H,16H2,1H3;2-4H,1H3,(H,16,17);1H4
• InChIKey: HQAJCHWXNNZRND-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 196.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.08
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid?

The IUPAC name of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid (CID 158553728) is N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid.

What is the SMILES notation for N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid?

The canonical SMILES for N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid is C.CC(=O)c1cnc2c(N)c(-c3ccccc3)ccn12.CC(=O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)s3)c(-c3ccccc3)ccn12.Cn1ccc(-c2cc(C(=O)O)sc2C(F)(F)F)n1.

What is the InChIKey of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid?

The InChIKey is HQAJCHWXNNZRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2S.C15H13N3O.C10H7F3N2O2S.CH4/c1-14(34)19-13-29-23-21(16(8-11-33(19)23)15-6-4-3-5-7-15)30-24(35)20-12-17(18-9-10-32(2)31-18)22(36-20)25(26,27)28;1-10(19)13-9-17-15-14(16)12(7-8-18(13)15)11-5-3-2-4-6-11;1-15-3-2-6(14-15)5-4-7(9(16)17)18-8(5)10(11,12)13;/h3-13H,1-2H3,(H,30,35);2-9H,16H2,1H3;2-4H,1H3,(H,16,17);1H4.

What are the key properties of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid?

N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid has a molecular weight of 1053.08 g/mol, XLogP of 12.22, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 158553728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).