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

C20H19N7O — CID 91312298

IUPAC6-[(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
SMILESN#CC1C([C@@H]2C[C@H]3CC[C@@H]2NC3)=Nc2[nH]ncc2C1c1cccc2nonc12
InChIInChI=1S/C20H19N7O/c21-7-13-17(11-2-1-3-16-19(11)27-28-26-16)14-9-23-25-20(14)24-18(13)12-6-10-4-5-15(12)22-8-10/h1-3,9-10,12-13,15,17,22H,4-6,8H2,(H,23,25)/t10-,12-,13?,15+,17?/m1/s1
InChIKeySUZZUBHVBWJUPP-RHPICRHFSA-N
MW373.42 g/mol
LogP2.69
Rot. Bonds2

About 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

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 (PubChem CID 91312298) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID91312298
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name6-[(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
SMILESN#CC1C([C@@H]2C[C@H]3CC[C@@H]2NC3)=Nc2[nH]ncc2C1c1cccc2nonc12
InChIInChI=1S/C20H19N7O/c21-7-13-17(11-2-1-3-16-19(11)27-28-26-16)14-9-23-25-20(14)24-18(13)12-6-10-4-5-15(12)22-8-10/h1-3,9-10,12-13,15,17,22H,4-6,8H2,(H,23,25)/t10-,12-,13?,15+,17?/m1/s1
InChIKeySUZZUBHVBWJUPP-RHPICRHFSA-N
XLogP2.69
TPSA115.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#CC1C([C@@H]2C[C@H]3CC[C@@H]2NC3)=Nc2[nH]ncc2C1c1cccc2nonc12.
What is the InChIKey of 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?
The InChIKey is SUZZUBHVBWJUPP-RHPICRHFSA-N. The full InChI is InChI=1S/C20H19N7O/c21-7-13-17(11-2-1-3-16-19(11)27-28-26-16)14-9-23-25-20(14)24-18(13)12-6-10-4-5-15(12)22-8-10/h1-3,9-10,12-13,15,17,22H,4-6,8H2,(H,23,25)/t10-,12-,13?,15+,17?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 373.42 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91312298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).