6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile

C23H24N6O3 — CID 176919221

IUPAC6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(N3CC4CC(C3)O4)cc(OC3CCC(Oc4ncccn4)CC3)c12
InChIInChI=1S/C23H24N6O3/c24-10-15-11-27-29-12-16(28-13-19-9-20(14-28)30-19)8-21(22(15)29)31-17-2-4-18(5-3-17)32-23-25-6-1-7-26-23/h1,6-8,11-12,17-20H,2-5,9,13-14H2
InChIKeyINOKNXXQGTUGLG-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.74
Rot. Bonds5

About 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 176919221) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID176919221
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(N3CC4CC(C3)O4)cc(OC3CCC(Oc4ncccn4)CC3)c12
InChIInChI=1S/C23H24N6O3/c24-10-15-11-27-29-12-16(28-13-19-9-20(14-28)30-19)8-21(22(15)29)31-17-2-4-18(5-3-17)32-23-25-6-1-7-26-23/h1,6-8,11-12,17-20H,2-5,9,13-14H2
InChIKeyINOKNXXQGTUGLG-UHFFFAOYSA-N
XLogP2.74
TPSA97.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 176919221) is 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(N3CC4CC(C3)O4)cc(OC3CCC(Oc4ncccn4)CC3)c12.
What is the InChIKey of 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is INOKNXXQGTUGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c24-10-15-11-27-29-12-16(28-13-19-9-20(14-28)30-19)8-21(22(15)29)31-17-2-4-18(5-3-17)32-23-25-6-1-7-26-23/h1,6-8,11-12,17-20H,2-5,9,13-14H2.
What are the key properties of 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 432.48 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 176919221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).