N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide

C26H34N6O4S — CID 164936389

IUPACN-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOC1CCN(CCNS(=O)(=O)Nc2cccc(-c3cn4cc(C(=O)NC5CCC5)ccc4n3)c2)CC1
InChIInChI=1S/C26H34N6O4S/c1-36-23-10-13-31(14-11-23)15-12-27-37(34,35)30-22-7-2-4-19(16-22)24-18-32-17-20(8-9-25(32)29-24)26(33)28-21-5-3-6-21/h2,4,7-9,16-18,21,23,27,30H,3,5-6,10-15H2,1H3,(H,28,33)
InChIKeyYYBPUNSDGNTDBA-UHFFFAOYSA-N
MW526.66 g/mol
LogP2.64
Rot. Bonds10

About N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide

N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 164936389) has the molecular formula C26H34N6O4S and a molecular weight of 526.66 g/mol. Its IUPAC name is N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID164936389
Molecular FormulaC26H34N6O4S
Molecular Weight526.66 g/mol
Exact Mass526.24
IUPAC NameN-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOC1CCN(CCNS(=O)(=O)Nc2cccc(-c3cn4cc(C(=O)NC5CCC5)ccc4n3)c2)CC1
InChIInChI=1S/C26H34N6O4S/c1-36-23-10-13-31(14-11-23)15-12-27-37(34,35)30-22-7-2-4-19(16-22)24-18-32-17-20(8-9-25(32)29-24)26(33)28-21-5-3-6-21/h2,4,7-9,16-18,21,23,27,30H,3,5-6,10-15H2,1H3,(H,28,33)
InChIKeyYYBPUNSDGNTDBA-UHFFFAOYSA-N
XLogP2.64
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide
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CID 176974216
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CID 155597709
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2-N-(1-benzylpiperidin-4-yl)-5-N-(3-phenylphenyl)pyridine-2,5-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 164936389) is N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide is COC1CCN(CCNS(=O)(=O)Nc2cccc(-c3cn4cc(C(=O)NC5CCC5)ccc4n3)c2)CC1.
What is the InChIKey of N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is YYBPUNSDGNTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4S/c1-36-23-10-13-31(14-11-23)15-12-27-37(34,35)30-22-7-2-4-19(16-22)24-18-32-17-20(8-9-25(32)29-24)26(33)28-21-5-3-6-21/h2,4,7-9,16-18,21,23,27,30H,3,5-6,10-15H2,1H3,(H,28,33).
What are the key properties of N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 526.66 g/mol, XLogP of 2.64, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[3-[2-(4-methoxypiperidin-1-yl)ethylsulfamoylamino]phenyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 164936389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).