4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

About 4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146626119) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name	4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID	146626119
Molecular Formula	C22H22N6O3
Molecular Weight	418.46 g/mol
Exact Mass	418.18
IUPAC Name	4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES	CC(O)COc1cc(-c2ccc(N3CC4CC(C3)N4C=O)nc2)c2c(C#N)cnn2c1
InChI	InChI=1S/C22H22N6O3/c1-14(30)12-31-19-5-20(22-16(6-23)8-25-28(22)11-19)15-2-3-21(24-7-15)26-9-17-4-18(10-26)27(17)13-29/h2-3,5,7-8,11,13-14,17-18,30H,4,9-10,12H2,1H3
InChIKey	FAWSHOFWDLHEAF-UHFFFAOYSA-N
XLogP	1.45
TPSA	106.99 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146626119) is 4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(O)COc1cc(-c2ccc(N3CC4CC(C3)N4C=O)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is FAWSHOFWDLHEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-14(30)12-31-19-5-20(22-16(6-23)8-25-28(22)11-19)15-2-3-21(24-7-15)26-9-17-4-18(10-26)27(17)13-29/h2-3,5,7-8,11,13-14,17-18,30H,4,9-10,12H2,1H3.

What are the key properties of 4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 418.46 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(6-formyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146626119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).