N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide

C25H32N6O3S — CID 155885713

IUPACN-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NC1CCC1)c1ccc2nc(-c3cccc(NS(=O)(=O)NCCN4CCCCC4)c3)cn2c1
InChIInChI=1S/C25H32N6O3S/c32-25(27-21-7-5-8-21)20-10-11-24-28-23(18-31(24)17-20)19-6-4-9-22(16-19)29-35(33,34)26-12-15-30-13-2-1-3-14-30/h4,6,9-11,16-18,21,26,29H,1-3,5,7-8,12-15H2,(H,27,32)
InChIKeyGPMTWAPXRJMXCC-UHFFFAOYSA-N
MW496.64 g/mol
LogP3.02
Rot. Bonds9

About N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide

N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155885713) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 g/mol. Its IUPAC name is N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID155885713
Molecular FormulaC25H32N6O3S
Molecular Weight496.64 g/mol
Exact Mass496.23
IUPAC NameN-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NC1CCC1)c1ccc2nc(-c3cccc(NS(=O)(=O)NCCN4CCCCC4)c3)cn2c1
InChIInChI=1S/C25H32N6O3S/c32-25(27-21-7-5-8-21)20-10-11-24-28-23(18-31(24)17-20)19-6-4-9-22(16-19)29-35(33,34)26-12-15-30-13-2-1-3-14-30/h4,6,9-11,16-18,21,26,29H,1-3,5,7-8,12-15H2,(H,27,32)
InChIKeyGPMTWAPXRJMXCC-UHFFFAOYSA-N
XLogP3.02
TPSA107.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 155885713) is N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NC1CCC1)c1ccc2nc(-c3cccc(NS(=O)(=O)NCCN4CCCCC4)c3)cn2c1.
What is the InChIKey of N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GPMTWAPXRJMXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3S/c32-25(27-21-7-5-8-21)20-10-11-24-28-23(18-31(24)17-20)19-6-4-9-22(16-19)29-35(33,34)26-12-15-30-13-2-1-3-14-30/h4,6,9-11,16-18,21,26,29H,1-3,5,7-8,12-15H2,(H,27,32).
What are the key properties of N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 496.64 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155885713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).