1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide

C21H27FN4O5S — CID 123608106

About 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide

1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide (PubChem CID 123608106) has the molecular formula C21H27FN4O5S and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide
• PubChem CID: 123608106
• Molecular Formula: C21H27FN4O5S
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.17
• IUPAC Name: 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide
• SMILES: Cc1ccc(Nc2c(NS(=O)(=O)C3(CC(O)CO)CC3)c3n(c(=O)c2C)CCN3)c(F)c1
• InChI: InChI=1S/C21H27FN4O5S/c1-12-3-4-16(15(22)9-12)24-17-13(2)20(29)26-8-7-23-19(26)18(17)25-32(30,31)21(5-6-21)10-14(28)11-27/h3-4,9,14,23-25,27-28H,5-8,10-11H2,1-2H3
• InChIKey: KFLFOQVSWBRUKA-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 132.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide?

The IUPAC name of 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide (CID 123608106) is 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide.

What is the SMILES notation for 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide?

The canonical SMILES for 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide is Cc1ccc(Nc2c(NS(=O)(=O)C3(CC(O)CO)CC3)c3n(c(=O)c2C)CCN3)c(F)c1.

What is the InChIKey of 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide?

The InChIKey is KFLFOQVSWBRUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O5S/c1-12-3-4-16(15(22)9-12)24-17-13(2)20(29)26-8-7-23-19(26)18(17)25-32(30,31)21(5-6-21)10-14(28)11-27/h3-4,9,14,23-25,27-28H,5-8,10-11H2,1-2H3.

What are the key properties of 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide?

1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide has a molecular weight of 466.54 g/mol, XLogP of 1.79, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 123608106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).