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

C18H17N7O2 — CID 135543650

IUPAC4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCOC(C2=C(C#N)C(c3cccc4nonc34)c3cn[nH]c3N2)C1
InChIInChI=1S/C18H17N7O2/c1-25-5-6-26-14(9-25)17-11(7-19)15(12-8-20-22-18(12)21-17)10-3-2-4-13-16(10)24-27-23-13/h2-4,8,14-15H,5-6,9H2,1H3,(H2,20,21,22)
InChIKeyNSXZLQYRFCCRCO-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.61
Rot. Bonds2

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

4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135543650) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135543650
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCOC(C2=C(C#N)C(c3cccc4nonc34)c3cn[nH]c3N2)C1
InChIInChI=1S/C18H17N7O2/c1-25-5-6-26-14(9-25)17-11(7-19)15(12-8-20-22-18(12)21-17)10-3-2-4-13-16(10)24-27-23-13/h2-4,8,14-15H,5-6,9H2,1H3,(H2,20,21,22)
InChIKeyNSXZLQYRFCCRCO-UHFFFAOYSA-N
XLogP1.61
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-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-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135543650) is 4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-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-(4-methylmorpholin-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-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CN1CCOC(C2=C(C#N)C(c3cccc4nonc34)c3cn[nH]c3N2)C1.
What is the InChIKey of 4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is NSXZLQYRFCCRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-25-5-6-26-14(9-25)17-11(7-19)15(12-8-20-22-18(12)21-17)10-3-2-4-13-16(10)24-27-23-13/h2-4,8,14-15H,5-6,9H2,1H3,(H2,20,21,22).
What are the key properties of 4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 363.38 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135543650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).