1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide

C16H21N7OS — CID 120644383

IUPAC1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3nc(C4CCNCC4)nn3C)cc12
InChIInChI=1S/C16H21N7OS/c1-9-11-8-12(25-15(11)22(2)20-9)14(24)19-16-18-13(21-23(16)3)10-4-6-17-7-5-10/h8,10,17H,4-7H2,1-3H3,(H,18,19,21,24)
InChIKeyHBFIYYZNJSLJGR-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.79
Rot. Bonds3

About 1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 120644383) has the molecular formula C16H21N7OS and a molecular weight of 359.46 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID120644383
Molecular FormulaC16H21N7OS
Molecular Weight359.46 g/mol
Exact Mass359.15
IUPAC Name1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3nc(C4CCNCC4)nn3C)cc12
InChIInChI=1S/C16H21N7OS/c1-9-11-8-12(25-15(11)22(2)20-9)14(24)19-16-18-13(21-23(16)3)10-4-6-17-7-5-10/h8,10,17H,4-7H2,1-3H3,(H,18,19,21,24)
InChIKeyHBFIYYZNJSLJGR-UHFFFAOYSA-N
XLogP1.79
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 120642347
4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120643297
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-nitrothiophene-2-carboxamide;hydrochloride
CID 120644378
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 16599345
3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644463
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 18134966
3-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120643486
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 120642480
2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-methylsulfonylbenzamide
CID 120643414

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 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) is 1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)Nc3nc(C4CCNCC4)nn3C)cc12.
What is the InChIKey of 1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is HBFIYYZNJSLJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7OS/c1-9-11-8-12(25-15(11)22(2)20-9)14(24)19-16-18-13(21-23(16)3)10-4-6-17-7-5-10/h8,10,17H,4-7H2,1-3H3,(H,18,19,21,24).
What are the key properties of 1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 120644383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).