4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide

C₁₉H₂₂N₆O₃S — CID 118890823

About 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide

4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide (PubChem CID 118890823) has the molecular formula C₁₉H₂₂N₆O₃S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide.

Molecular Properties

• Compound Name: 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide
• PubChem CID: 118890823
• Molecular Formula: C₁₉H₂₂N₆O₃S
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.15
• IUPAC Name: 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide
• SMILES: O=S1(=Nc2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCOCC1
• InChI: InChI=1S/C19H22N6O3S/c26-29(11-9-28-10-12-29)24-16-13-17(25-5-7-27-8-6-25)22-18-14(16)1-3-20-19(18)15-2-4-21-23-15/h1-4,13H,5-12H2,(H,21,23)
• InChIKey: DYUSDRDNDVOWDS-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 105.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide?

The IUPAC name of 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide (CID 118890823) is 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide.

What is the SMILES notation for 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide?

The canonical SMILES for 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide is O=S1(=Nc2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCOCC1.

What is the InChIKey of 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide?

The InChIKey is DYUSDRDNDVOWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c26-29(11-9-28-10-12-29)24-16-13-17(25-5-7-27-8-6-25)22-18-14(16)1-3-20-19(18)15-2-4-21-23-15/h1-4,13H,5-12H2,(H,21,23).

What are the key properties of 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide?

4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide has a molecular weight of 414.49 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide is sourced from PubChem (CID 118890823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118890823 — identifiers, structure, computed properties (public domain)

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