N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane

C20H24N8O2S — CID 178051219

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane
SMILESCc1nc(N2CCCC(NC(=O)c3cnc4cc(-c5ccn(C)n5)ccn34)C2)no1.S
InChIInChI=1S/C20H22N8O2.H2S/c1-13-22-20(25-30-13)27-7-3-4-15(12-27)23-19(29)17-11-21-18-10-14(5-9-28(17)18)16-6-8-26(2)24-16;/h5-6,8-11,15H,3-4,7,12H2,1-2H3,(H,23,29);1H2
InChIKeyQBEQTDKSHPYNLA-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.94
Rot. Bonds4

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane (PubChem CID 178051219) has the molecular formula C20H24N8O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane
PubChem CID178051219
Molecular FormulaC20H24N8O2S
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane
SMILESCc1nc(N2CCCC(NC(=O)c3cnc4cc(-c5ccn(C)n5)ccn34)C2)no1.S
InChIInChI=1S/C20H22N8O2.H2S/c1-13-22-20(25-30-13)27-7-3-4-15(12-27)23-19(29)17-11-21-18-10-14(5-9-28(17)18)16-6-8-26(2)24-16;/h5-6,8-11,15H,3-4,7,12H2,1-2H3,(H,23,29);1H2
InChIKeyQBEQTDKSHPYNLA-UHFFFAOYSA-N
XLogP1.94
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;oxolane;sulfane
CID 178051275
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 128989377
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994017
N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide
CID 145270654
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178051365
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993788
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-5-carboxamide
CID 128989356
1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171997949

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane (CID 178051219) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane is Cc1nc(N2CCCC(NC(=O)c3cnc4cc(-c5ccn(C)n5)ccn34)C2)no1.S.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane?
The InChIKey is QBEQTDKSHPYNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2.H2S/c1-13-22-20(25-30-13)27-7-3-4-15(12-27)23-19(29)17-11-21-18-10-14(5-9-28(17)18)16-6-8-26(2)24-16;/h5-6,8-11,15H,3-4,7,12H2,1-2H3,(H,23,29);1H2.
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane has a molecular weight of 440.53 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-7-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;sulfane is sourced from PubChem (CID 178051219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).