N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

C26H29F2N5O5S — CID 131990623

About N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 131990623) has the molecular formula C26H29F2N5O5S and a molecular weight of 561.61 g/mol. Its IUPAC name is N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 131990623
• Molecular Formula: C26H29F2N5O5S
• Molecular Weight: 561.61 g/mol
• Exact Mass: 561.19
• IUPAC Name: N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCN(C)S(=O)(=O)NC(=O)c1cnc2ccc(N3C[C@@H](F)C=C3c3cc(F)ccc3OC3CCOCC3)cn12
• InChI: InChI=1S/C26H29F2N5O5S/c1-3-31(2)39(35,36)30-26(34)23-14-29-25-7-5-19(16-33(23)25)32-15-18(28)13-22(32)21-12-17(27)4-6-24(21)38-20-8-10-37-11-9-20/h4-7,12-14,16,18,20H,3,8-11,15H2,1-2H3,(H,30,34)/t18-/m0/s1
• InChIKey: MKTIXSIOCFJGMH-SFHVURJKSA-N
• XLogP: 3.16
• TPSA: 105.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.61
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 131990623) is N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCN(C)S(=O)(=O)NC(=O)c1cnc2ccc(N3C[C@@H](F)C=C3c3cc(F)ccc3OC3CCOCC3)cn12.

What is the InChIKey of N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is MKTIXSIOCFJGMH-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29F2N5O5S/c1-3-31(2)39(35,36)30-26(34)23-14-29-25-7-5-19(16-33(23)25)32-15-18(28)13-22(32)21-12-17(27)4-6-24(21)38-20-8-10-37-11-9-20/h4-7,12-14,16,18,20H,3,8-11,15H2,1-2H3,(H,30,34)/t18-/m0/s1.

What are the key properties of N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 561.61 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[ethyl(methyl)sulfamoyl]-6-[(3S)-3-fluoro-5-[5-fluoro-2-(oxan-4-yloxy)phenyl]-2,3-dihydropyrrol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 131990623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).