4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C18H17N7S — CID 91234527

IUPAC4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1cccc2nsnc12
InChIInChI=1S/C18H17N7S/c19-8-12-15(11-2-1-3-14-17(11)25-26-24-14)13-9-21-23-18(13)22-16(12)10-4-6-20-7-5-10/h1-3,9-10,12,15,20H,4-7H2,(H,21,23)
InChIKeyBVWNCGGHKAIVIF-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.77
Rot. Bonds2

About 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 91234527) has the molecular formula C18H17N7S and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID91234527
Molecular FormulaC18H17N7S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1cccc2nsnc12
InChIInChI=1S/C18H17N7S/c19-8-12-15(11-2-1-3-14-17(11)25-26-24-14)13-9-21-23-18(13)22-16(12)10-4-6-20-7-5-10/h1-3,9-10,12,15,20H,4-7H2,(H,21,23)
InChIKeyBVWNCGGHKAIVIF-UHFFFAOYSA-N
XLogP2.77
TPSA102.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-piperidin-4-yl-4-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 91464759
4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583824
4-(2,1,3-benzoxadiazol-4-yl)-6-(1-ethylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 91146076
4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 91357529
4-(2,3-dichlorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 90991312
4-(2-bromo-3-cyanophenyl)-6-piperidin-3-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 91082622
6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 90697067
6-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-4-(2,1,3-benzoxadiazol-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 91312298
4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 91521605
4-(6-cyclobutyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridin-4-yl)-2,1,3-benzoxadiazole
CID 91294269
4-(2-bromo-3-cyanophenyl)-6-ethyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 91521282
4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 91448644

Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 91234527) is 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1cccc2nsnc12.
What is the InChIKey of 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is BVWNCGGHKAIVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7S/c19-8-12-15(11-2-1-3-14-17(11)25-26-24-14)13-9-21-23-18(13)22-16(12)10-4-6-20-7-5-10/h1-3,9-10,12,15,20H,4-7H2,(H,21,23).
What are the key properties of 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 363.45 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 91234527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).