N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

C27H33F2N5O5S — CID 118590413

IUPACN-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(CC(C)(C)F)S(=O)(=O)NC(=O)c1cnc2ccc(N3CCCC3c3cc(F)ccc3OC3CCOC3)cn12
InChIInChI=1S/C27H33F2N5O5S/c1-27(2,29)17-32(3)40(36,37)31-26(35)23-14-30-25-9-7-19(15-34(23)25)33-11-4-5-22(33)21-13-18(28)6-8-24(21)39-20-10-12-38-16-20/h6-9,13-15,20,22H,4-5,10-12,16-17H2,1-3H3,(H,31,35)
InChIKeyZJFGJNXUGTVJER-UHFFFAOYSA-N
MW577.65 g/mol
LogP3.64
Rot. Bonds9

About N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590413) has the molecular formula C27H33F2N5O5S and a molecular weight of 577.65 g/mol. Its IUPAC name is N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118590413
Molecular FormulaC27H33F2N5O5S
Molecular Weight577.65 g/mol
Exact Mass577.22
IUPAC NameN-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(CC(C)(C)F)S(=O)(=O)NC(=O)c1cnc2ccc(N3CCCC3c3cc(F)ccc3OC3CCOC3)cn12
InChIInChI=1S/C27H33F2N5O5S/c1-27(2,29)17-32(3)40(36,37)31-26(35)23-14-30-25-9-7-19(15-34(23)25)33-11-4-5-22(33)21-13-18(28)6-8-24(21)39-20-10-12-38-16-20/h6-9,13-15,20,22H,4-5,10-12,16-17H2,1-3H3,(H,31,35)
InChIKeyZJFGJNXUGTVJER-UHFFFAOYSA-N
XLogP3.64
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.65
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118590413) is N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is CN(CC(C)(C)F)S(=O)(=O)NC(=O)c1cnc2ccc(N3CCCC3c3cc(F)ccc3OC3CCOC3)cn12.
What is the InChIKey of N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZJFGJNXUGTVJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N5O5S/c1-27(2,29)17-32(3)40(36,37)31-26(35)23-14-30-25-9-7-19(15-34(23)25)33-11-4-5-22(33)21-13-18(28)6-8-24(21)39-20-10-12-38-16-20/h6-9,13-15,20,22H,4-5,10-12,16-17H2,1-3H3,(H,31,35).
What are the key properties of N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 577.65 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-2-methylpropyl)-methylsulfamoyl]-6-[2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).