3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen

C27H27F2N5O4S — CID 176665900

About 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen

3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen (PubChem CID 176665900) has the molecular formula C27H27F2N5O4S and a molecular weight of 555.61 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
• PubChem CID: 176665900
• Molecular Formula: C27H27F2N5O4S
• Molecular Weight: 555.61 g/mol
• Exact Mass: 555.18
• IUPAC Name: 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
• SMILES: C[C@H]1CN(c2cccc(-c3ccc4cnc(CNC(=O)c5cccc(S(=O)(=O)C(F)F)c5)cc4n3)n2)CCO1.[H][H]
• InChI: InChI=1S/C27H25F2N5O4S.H2/c1-17-16-34(10-11-38-17)25-7-3-6-22(33-25)23-9-8-19-14-30-20(13-24(19)32-23)15-31-26(35)18-4-2-5-21(12-18)39(36,37)27(28)29;/h2-9,12-14,17,27H,10-11,15-16H2,1H3,(H,31,35);1H/t17-;/m0./s1
• InChIKey: NELWCPBBTLXCQB-LMOVPXPDSA-N
• XLogP: 4.09
• TPSA: 114.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.61
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen?

The IUPAC name of 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen (CID 176665900) is 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen.

What is the SMILES notation for 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen?

The canonical SMILES for 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen is C[C@H]1CN(c2cccc(-c3ccc4cnc(CNC(=O)c5cccc(S(=O)(=O)C(F)F)c5)cc4n3)n2)CCO1.[H][H].

What is the InChIKey of 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen?

The InChIKey is NELWCPBBTLXCQB-LMOVPXPDSA-N. The full InChI is InChI=1S/C27H25F2N5O4S.H2/c1-17-16-34(10-11-38-17)25-7-3-6-22(33-25)23-9-8-19-14-30-20(13-24(19)32-23)15-31-26(35)18-4-2-5-21(12-18)39(36,37)27(28)29;/h2-9,12-14,17,27H,10-11,15-16H2,1H3,(H,31,35);1H/t17-;/m0./s1.

What are the key properties of 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen?

3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen has a molecular weight of 555.61 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen is sourced from PubChem (CID 176665900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).