2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid

C23H25FN6O5 — CID 68930539

About 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid

2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 68930539) has the molecular formula C23H25FN6O5 and a molecular weight of 484.49 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

• Compound Name: 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid
• PubChem CID: 68930539
• Molecular Formula: C23H25FN6O5
• Molecular Weight: 484.49 g/mol
• Exact Mass: 484.19
• IUPAC Name: 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid
• SMILES: O=C(O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)cnc3ccc(F)nc32)CC1
• InChI: InChI=1S/C23H25FN6O5/c24-20-2-1-17-22(27-20)29(21(31)13-26-17)8-7-28-5-3-16(4-6-28)30(23(32)33)14-15-11-18-19(12-25-15)35-10-9-34-18/h1-2,11-13,16H,3-10,14H2,(H,32,33)
• InChIKey: LTGMYTFSKSFJGH-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 122.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.49
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid?

The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid (CID 68930539) is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid.

What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid?

The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid is O=C(O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)cnc3ccc(F)nc32)CC1.

What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid?

The InChIKey is LTGMYTFSKSFJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O5/c24-20-2-1-17-22(27-20)29(21(31)13-26-17)8-7-28-5-3-16(4-6-28)30(23(32)33)14-15-11-18-19(12-25-15)35-10-9-34-18/h1-2,11-13,16H,3-10,14H2,(H,32,33).

What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid?

2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 484.49 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68930539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).