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

C29H31FN6O5S — CID 118590467

IUPAC6-[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(N3CCCC3c3cc(F)ccc3OC3CCOCC3)cn12
InChIInChI=1S/C29H31FN6O5S/c1-34(27-6-2-3-13-31-27)42(38,39)33-29(37)25-18-32-28-10-8-21(19-36(25)28)35-14-4-5-24(35)23-17-20(30)7-9-26(23)41-22-11-15-40-16-12-22/h2-3,6-10,13,17-19,22,24H,4-5,11-12,14-16H2,1H3,(H,33,37)
InChIKeyVICGRBXTBGCURW-UHFFFAOYSA-N
MW594.67 g/mol
LogP3.88
Rot. Bonds8

About 6-[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-[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 118590467) has the molecular formula C29H31FN6O5S and a molecular weight of 594.67 g/mol. Its IUPAC name is 6-[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-[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 CID118590467
Molecular FormulaC29H31FN6O5S
Molecular Weight594.67 g/mol
Exact Mass594.21
IUPAC Name6-[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(N3CCCC3c3cc(F)ccc3OC3CCOCC3)cn12
InChIInChI=1S/C29H31FN6O5S/c1-34(27-6-2-3-13-31-27)42(38,39)33-29(37)25-18-32-28-10-8-21(19-36(25)28)35-14-4-5-24(35)23-17-20(30)7-9-26(23)41-22-11-15-40-16-12-22/h2-3,6-10,13,17-19,22,24H,4-5,11-12,14-16H2,1H3,(H,33,37)
InChIKeyVICGRBXTBGCURW-UHFFFAOYSA-N
XLogP3.88
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.67
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[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-[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 118590467) is 6-[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-[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-[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(N3CCCC3c3cc(F)ccc3OC3CCOCC3)cn12.
What is the InChIKey of 6-[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 VICGRBXTBGCURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O5S/c1-34(27-6-2-3-13-31-27)42(38,39)33-29(37)25-18-32-28-10-8-21(19-36(25)28)35-14-4-5-24(35)23-17-20(30)7-9-26(23)41-22-11-15-40-16-12-22/h2-3,6-10,13,17-19,22,24H,4-5,11-12,14-16H2,1H3,(H,33,37).
What are the key properties of 6-[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-[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 594.67 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[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 118590467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).