6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile

C18H19FN6O2 — CID 156524158

About 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile

6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 156524158) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile
• PubChem CID: 156524158
• Molecular Formula: C18H19FN6O2
• Molecular Weight: 370.39 g/mol
• Exact Mass: 370.16
• IUPAC Name: 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile
• SMILES: CC(c1nc2c(cc1F)OCCO2)N1CCN(c2ccc(C#N)nn2)CC1
• InChI: InChI=1S/C18H19FN6O2/c1-12(17-14(19)10-15-18(21-17)27-9-8-26-15)24-4-6-25(7-5-24)16-3-2-13(11-20)22-23-16/h2-3,10,12H,4-9H2,1H3
• InChIKey: CCDGZYSGQRCMIO-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 87.40 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.39
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile?

The IUPAC name of 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile (CID 156524158) is 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile.

What is the SMILES notation for 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile?

The canonical SMILES for 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile is CC(c1nc2c(cc1F)OCCO2)N1CCN(c2ccc(C#N)nn2)CC1.

What is the InChIKey of 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile?

The InChIKey is CCDGZYSGQRCMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-12(17-14(19)10-15-18(21-17)27-9-8-26-15)24-4-6-25(7-5-24)16-3-2-13(11-20)22-23-16/h2-3,10,12H,4-9H2,1H3.

What are the key properties of 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile?

6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 370.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 156524158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).