3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen

C28H28F4N6O5S — CID 176665872

About 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen

3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen (PubChem CID 176665872) has the molecular formula C28H28F4N6O5S and a molecular weight of 636.63 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
• PubChem CID: 176665872
• Molecular Formula: C28H28F4N6O5S
• Molecular Weight: 636.63 g/mol
• Exact Mass: 636.18
• IUPAC Name: 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
• SMILES: C[C@@H]1CN(c2nccc(-c3ccc4cnc(CNC(=O)c5cc(OC(F)F)cc(S(=O)(=O)C(F)F)c5)cc4n3)n2)C[C@H](C)O1.[H][H]
• InChI: InChI=1S/C28H26F4N6O5S.H2/c1-15-13-38(14-16(2)42-15)28-33-6-5-23(37-28)22-4-3-17-11-34-19(9-24(17)36-22)12-35-25(39)18-7-20(43-26(29)30)10-21(8-18)44(40,41)27(31)32;/h3-11,15-16,26-27H,12-14H2,1-2H3,(H,35,39);1H/t15-,16+
• InChIKey: BJALLIOUGHXHHU-FAESNJTISA-N
• XLogP: 4.47
• TPSA: 136.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	636.63
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen?

The IUPAC name of 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen (CID 176665872) is 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen.

What is the SMILES notation for 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen?

The canonical SMILES for 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen is C[C@@H]1CN(c2nccc(-c3ccc4cnc(CNC(=O)c5cc(OC(F)F)cc(S(=O)(=O)C(F)F)c5)cc4n3)n2)C[C@H](C)O1.[H][H].

What is the InChIKey of 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen?

The InChIKey is BJALLIOUGHXHHU-FAESNJTISA-N. The full InChI is InChI=1S/C28H26F4N6O5S.H2/c1-15-13-38(14-16(2)42-15)28-33-6-5-23(37-28)22-4-3-17-11-34-19(9-24(17)36-22)12-35-25(39)18-7-20(43-26(29)30)10-21(8-18)44(40,41)27(31)32;/h3-11,15-16,26-27H,12-14H2,1-2H3,(H,35,39);1H/t15-,16+;.

What are the key properties of 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen?

3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen has a molecular weight of 636.63 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen is sourced from PubChem (CID 176665872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).