N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine

C26H35FN8O2S — CID 175869098

About N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine

N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine (PubChem CID 175869098) has the molecular formula C26H35FN8O2S and a molecular weight of 542.69 g/mol. Its IUPAC name is N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine.

Molecular Properties

• Compound Name: N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine
• PubChem CID: 175869098
• Molecular Formula: C26H35FN8O2S
• Molecular Weight: 542.69 g/mol
• Exact Mass: 542.26
• IUPAC Name: N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine
• SMILES: CC(C)c1ncc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ncnc(N4CC[C@@H](C)[C@H](F)C4)n3)cc12
• InChI: InChI=1S/C26H35FN8O2S/c1-15(2)24-19-8-23(32-25-30-14-31-26(33-25)34-7-6-16(3)21(27)12-34)28-9-20(19)22(10-29-24)35-11-18(17(35)4)13-38(5,36)37/h8-10,14-18,21H,6-7,11-13H2,1-5H3,(H,28,30,31,32,33)/t16-,17-,18-,21-/m1/s1
• InChIKey: CMJIXOOGWQSRCQ-NEYJZJCJSA-N
• XLogP: 3.74
• TPSA: 117.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.69
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine?

The IUPAC name of N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine (CID 175869098) is N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine.

What is the SMILES notation for N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine?

The canonical SMILES for N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine is CC(C)c1ncc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ncnc(N4CC[C@@H](C)[C@H](F)C4)n3)cc12.

What is the InChIKey of N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine?

The InChIKey is CMJIXOOGWQSRCQ-NEYJZJCJSA-N. The full InChI is InChI=1S/C26H35FN8O2S/c1-15(2)24-19-8-23(32-25-30-14-31-26(33-25)34-7-6-16(3)21(27)12-34)28-9-20(19)22(10-29-24)35-11-18(17(35)4)13-38(5,36)37/h8-10,14-18,21H,6-7,11-13H2,1-5H3,(H,28,30,31,32,33)/t16-,17-,18-,21-/m1/s1.

What are the key properties of N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine?

N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine has a molecular weight of 542.69 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine is sourced from PubChem (CID 175869098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).