N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

C20H22N4O3S — CID 66614375

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C20H22N4O3S/c25-20(17-6-9-19-21-10-13-23(19)15-17)22-14-16-4-7-18(8-5-16)28(26,27)24-11-2-1-3-12-24/h4-10,13,15H,1-3,11-12,14H2,(H,22,25)
InChIKeyLDLLYRCFBHWBHB-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.44
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 66614375) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID66614375
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C20H22N4O3S/c25-20(17-6-9-19-21-10-13-23(19)15-17)22-14-16-4-7-18(8-5-16)28(26,27)24-11-2-1-3-12-24/h4-10,13,15H,1-3,11-12,14H2,(H,22,25)
InChIKeyLDLLYRCFBHWBHB-UHFFFAOYSA-N
XLogP2.44
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 66614375) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LDLLYRCFBHWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(17-6-9-19-21-10-13-23(19)15-17)22-14-16-4-7-18(8-5-16)28(26,27)24-11-2-1-3-12-24/h4-10,13,15H,1-3,11-12,14H2,(H,22,25).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 66614375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).