4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H30N6O3 — CID 176919281

About 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 176919281) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 176919281
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(/N=C\C=C/N)OC1CCC(Oc2cc(N3CC4CC(C3)O4)cn3ncc(C#N)c23)CC1
• InChI: InChI=1S/C24H30N6O3/c1-16(27-8-2-7-25)31-19-3-5-20(6-4-19)33-23-9-18(29-14-21-10-22(15-29)32-21)13-30-24(23)17(11-26)12-28-30/h2,7-9,12-13,16,19-22H,3-6,10,14-15,25H2,1H3/b7-2-,27-8-
• InChIKey: FQECDJRJZXQHBL-AOVKHKDNSA-N
• XLogP: 2.78
• TPSA: 110.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 176919281) is 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(/N=C\C=C/N)OC1CCC(Oc2cc(N3CC4CC(C3)O4)cn3ncc(C#N)c23)CC1.

What is the InChIKey of 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is FQECDJRJZXQHBL-AOVKHKDNSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-16(27-8-2-7-25)31-19-3-5-20(6-4-19)33-23-9-18(29-14-21-10-22(15-29)32-21)13-30-24(23)17(11-26)12-28-30/h2,7-9,12-13,16,19-22H,3-6,10,14-15,25H2,1H3/b7-2-,27-8-.

What are the key properties of 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 450.54 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 176919281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).