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

C18H17N7O — CID 135583787

IUPAC4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2CCCCN2)Nc2[nH]ncc2C1c1cccc2nonc12
InChIInChI=1S/C18H17N7O/c19-8-11-15(10-4-3-6-14-17(10)25-26-24-14)12-9-21-23-18(12)22-16(11)13-5-1-2-7-20-13/h3-4,6,9,13,15,20H,1-2,5,7H2,(H2,21,22,23)
InChIKeyKKHBOTHBGRNOPU-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.42
Rot. Bonds2

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

4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583787) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583787
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2CCCCN2)Nc2[nH]ncc2C1c1cccc2nonc12
InChIInChI=1S/C18H17N7O/c19-8-11-15(10-4-3-6-14-17(10)25-26-24-14)12-9-21-23-18(12)22-16(11)13-5-1-2-7-20-13/h3-4,6,9,13,15,20H,1-2,5,7H2,(H2,21,22,23)
InChIKeyKKHBOTHBGRNOPU-UHFFFAOYSA-N
XLogP2.42
TPSA115.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 136249339
4-(2,1,3-benzoxadiazol-4-yl)-6-[4-(dimethylamino)cyclohexyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135430640
4-(2,1,3-Benzoxadiazol-4-yl)-5-cyano-4,7-dihydro-6-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 135515461
4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135543650
4-(2,1,3-Benzoxadiazol-4-yl)-5-cyano-4,7-dihydro-6-(2-oxocyclohexan-1-yl)-2H-pyrazolo[3,4-b]pyridine
CID 135584158
4-(2,1,3-Benzoxadiazol-4-yl)-5-cyano-4,7-dihydro-6-((N-methylamino)methyl)-2H-pyrazolo[3,4-b]pyridine trifluoroacetate
CID 135584120
4-(2,1,3-benzoxadiazol-4-yl)-5-isocyano-N-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridin-2-ium-1-carboxamide
CID 23586989
4-(5-Isocyano-7-methyl-6-propyl-1,4-dihydropyrazolo[5,4-b]pyridin-4-yl)-2,1,3-benzoxadiazole
CID 23587001
4-(2,1,3-Benzoxadiazol-4-yl)-6-(1-ethylpiperidin-4-yl)-7-methylidene-1,4,8,9-tetrahydrocycloocta[d]pyrazole-5-carbonitrile
CID 67557813
4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylsulfonylpiperidin-2-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 90685092
4-(2,1,3-benzoxadiazol-4-yl)-6-propan-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 90688305
1-[4-[4-(2,1,3-benzoxadiazol-4-yl)-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 90690021

Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583787) is 4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(C2CCCCN2)Nc2[nH]ncc2C1c1cccc2nonc12.
What is the InChIKey of 4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is KKHBOTHBGRNOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c19-8-11-15(10-4-3-6-14-17(10)25-26-24-14)12-9-21-23-18(12)22-16(11)13-5-1-2-7-20-13/h3-4,6,9,13,15,20H,1-2,5,7H2,(H2,21,22,23).
What are the key properties of 4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,1,3-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 347.38 g/mol, XLogP of 2.42, 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-benzoxadiazol-4-yl)-6-piperidin-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).