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

C29H30F2N6O5S — CID 118590275

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(c1ccccn1)S(=O)(=O)NC(=O)c1cnc2ccc(N3CC(F)CC3c3cc(F)ccc3OC3CCOCC3)cn12
InChIInChI=1S/C29H30F2N6O5S/c1-35(27-4-2-3-11-32-27)43(39,40)34-29(38)25-16-33-28-8-6-21(18-37(25)28)36-17-20(31)15-24(36)23-14-19(30)5-7-26(23)42-22-9-12-41-13-10-22/h2-8,11,14,16,18,20,22,24H,9-10,12-13,15,17H2,1H3,(H,34,38)
InChIKeyBRRQTBCIZMWXLR-UHFFFAOYSA-N
MW612.66 g/mol
LogP3.83
Rot. Bonds8

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

6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590275) has the molecular formula C29H30F2N6O5S and a molecular weight of 612.66 g/mol. Its IUPAC name is 6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118590275
Molecular FormulaC29H30F2N6O5S
Molecular Weight612.66 g/mol
Exact Mass612.20
IUPAC Name6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(c1ccccn1)S(=O)(=O)NC(=O)c1cnc2ccc(N3CC(F)CC3c3cc(F)ccc3OC3CCOCC3)cn12
InChIInChI=1S/C29H30F2N6O5S/c1-35(27-4-2-3-11-32-27)43(39,40)34-29(38)25-16-33-28-8-6-21(18-37(25)28)36-17-20(31)15-24(36)23-14-19(30)5-7-26(23)42-22-9-12-41-13-10-22/h2-8,11,14,16,18,20,22,24H,9-10,12-13,15,17H2,1H3,(H,34,38)
InChIKeyBRRQTBCIZMWXLR-UHFFFAOYSA-N
XLogP3.83
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.66
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118590275) is 6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide is CN(c1ccccn1)S(=O)(=O)NC(=O)c1cnc2ccc(N3CC(F)CC3c3cc(F)ccc3OC3CCOCC3)cn12.
What is the InChIKey of 6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BRRQTBCIZMWXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O5S/c1-35(27-4-2-3-11-32-27)43(39,40)34-29(38)25-16-33-28-8-6-21(18-37(25)28)36-17-20(31)15-24(36)23-14-19(30)5-7-26(23)42-22-9-12-41-13-10-22/h2-8,11,14,16,18,20,22,24H,9-10,12-13,15,17H2,1H3,(H,34,38).
What are the key properties of 6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 612.66 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl(pyridin-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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