1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C17H24ClN7O2S — CID 120957719

IUPAC1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(C)c2sc(C(=O)NC(C)c3nc(C4CNCCN4C)no3)cc12.Cl
InChIInChI=1S/C17H23N7O2S.ClH/c1-9-11-7-13(27-17(11)24(4)21-9)15(25)19-10(2)16-20-14(22-26-16)12-8-18-5-6-23(12)3;/h7,10,12,18H,5-6,8H2,1-4H3,(H,19,25);1H
InChIKeyWHAWOSBWHGJFAB-UHFFFAOYSA-N
MW425.95 g/mol
LogP1.82
Rot. Bonds4

About 1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 120957719) has the molecular formula C17H24ClN7O2S and a molecular weight of 425.95 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID120957719
Molecular FormulaC17H24ClN7O2S
Molecular Weight425.95 g/mol
Exact Mass425.14
IUPAC Name1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(C)c2sc(C(=O)NC(C)c3nc(C4CNCCN4C)no3)cc12.Cl
InChIInChI=1S/C17H23N7O2S.ClH/c1-9-11-7-13(27-17(11)24(4)21-9)15(25)19-10(2)16-20-14(22-26-16)12-8-18-5-6-23(12)3;/h7,10,12,18H,5-6,8H2,1-4H3,(H,19,25);1H
InChIKeyWHAWOSBWHGJFAB-UHFFFAOYSA-N
XLogP1.82
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.95
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 120867138
1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 119473685
3-(1-methylpiperazin-2-yl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 120958589
3-methyl-N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
CID 120959638
N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzamide;hydrochloride
CID 120959628
(2R)-2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoic acid
CID 54990433
1,3-dimethyl-N-[1-oxo-1-(3-piperazin-1-ylpropylamino)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 119394611
N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride
CID 120956291
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119471958
1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 120644383
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51324007
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879462

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 120957719) is 1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is Cc1nn(C)c2sc(C(=O)NC(C)c3nc(C4CNCCN4C)no3)cc12.Cl.
What is the InChIKey of 1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is WHAWOSBWHGJFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2S.ClH/c1-9-11-7-13(27-17(11)24(4)21-9)15(25)19-10(2)16-20-14(22-26-16)12-8-18-5-6-23(12)3;/h7,10,12,18H,5-6,8H2,1-4H3,(H,19,25);1H.
What are the key properties of 1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 425.95 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120957719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).