1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one

C20H23N5O2 — CID 160614109

About 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one

1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one (PubChem CID 160614109) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
• PubChem CID: 160614109
• Molecular Formula: C20H23N5O2
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.19
• IUPAC Name: 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
• SMILES: C[C@H]1COCCN1CC(=O)Cc1cc2cc(-c3cnn(C)c3)cnc2cn1
• InChI: InChI=1S/C20H23N5O2/c1-14-13-27-4-3-25(14)12-19(26)7-18-6-15-5-16(8-22-20(15)10-21-18)17-9-23-24(2)11-17/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3/t14-/m0/s1
• InChIKey: RFWBDAHMMILZOO-AWEZNQCLSA-N
• XLogP: 1.86
• TPSA: 73.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one?

The IUPAC name of 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one (CID 160614109) is 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one.

What is the SMILES notation for 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one?

The canonical SMILES for 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one is C[C@H]1COCCN1CC(=O)Cc1cc2cc(-c3cnn(C)c3)cnc2cn1.

What is the InChIKey of 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one?

The InChIKey is RFWBDAHMMILZOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-13-27-4-3-25(14)12-19(26)7-18-6-15-5-16(8-22-20(15)10-21-18)17-9-23-24(2)11-17/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3/t14-/m0/s1.

What are the key properties of 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one?

1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one has a molecular weight of 365.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one is sourced from PubChem (CID 160614109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).