4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C18H17N7S — CID 135583824

IUPAC4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(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/h1-3,9-10,15,20H,4-7H2,(H2,21,22,23)
InChIKeyIPNPGAWYHCKMLP-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.75
Rot. Bonds2

About 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583824) 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-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583824
Molecular FormulaC18H17N7S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(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/h1-3,9-10,15,20H,4-7H2,(H2,21,22,23)
InChIKeyIPNPGAWYHCKMLP-UHFFFAOYSA-N
XLogP2.75
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride
CID 135583983
4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584064
4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583777
4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 91234527
4-(2-bromo-3-cyanophenyl)-6-cyclobutyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584034
4-(3,4-dihydro-2H-chromen-8-yl)-5-isocyano-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 135617673
2-bromo-3-(6-cyclopentyl-5-isocyano-4,7-dihydro-1H-pyrazolo[5,4-b]pyridin-4-yl)benzonitrile
CID 135617519
4-(2,1,3-benzoxadiazol-4-yl)-6-(1H-indol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584079
4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583996
4-(2-bromo-3-cyanophenyl)-6-[(1R,4S,6R)-2-methyl-2-azabicyclo[2.2.2]octan-6-yl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135970893
4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583736
4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583853

Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583824) is 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-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-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1cccc2nsnc12.
What is the InChIKey of 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is IPNPGAWYHCKMLP-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/h1-3,9-10,15,20H,4-7H2,(H2,21,22,23).
What are the key properties of 4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 363.45 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 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-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).