N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine

C28H37FN8O — CID 166547088

About N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine

N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine (PubChem CID 166547088) has the molecular formula C28H37FN8O and a molecular weight of 520.66 g/mol. Its IUPAC name is N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine.

Molecular Properties

• Compound Name: N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
• PubChem CID: 166547088
• Molecular Formula: C28H37FN8O
• Molecular Weight: 520.66 g/mol
• Exact Mass: 520.31
• IUPAC Name: N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
• SMILES: CO[C@@H]1CCN(c2nccc(Nc3cc4c(C(C)C)cnc(N5CCC56CN(C)C6)c4cn3)n2)C[C@]1(C)F
• InChI: InChI=1S/C28H37FN8O/c1-18(2)20-13-32-25(37-11-8-28(37)16-35(4)17-28)21-14-31-24(12-19(20)21)33-23-6-9-30-26(34-23)36-10-7-22(38-5)27(3,29)15-36/h6,9,12-14,18,22H,7-8,10-11,15-17H2,1-5H3,(H,30,31,33,34)/t22-,27+/m1/s1
• InChIKey: BVIPTXBNOGIZSR-AMGIVPHBSA-N
• XLogP: 4.13
• TPSA: 82.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.66
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine?

The IUPAC name of N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine (CID 166547088) is N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine.

What is the SMILES notation for N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine?

The canonical SMILES for N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine is CO[C@@H]1CCN(c2nccc(Nc3cc4c(C(C)C)cnc(N5CCC56CN(C)C6)c4cn3)n2)C[C@]1(C)F.

What is the InChIKey of N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine?

The InChIKey is BVIPTXBNOGIZSR-AMGIVPHBSA-N. The full InChI is InChI=1S/C28H37FN8O/c1-18(2)20-13-32-25(37-11-8-28(37)16-35(4)17-28)21-14-31-24(12-19(20)21)33-23-6-9-30-26(34-23)36-10-7-22(38-5)27(3,29)15-36/h6,9,12-14,18,22H,7-8,10-11,15-17H2,1-5H3,(H,30,31,33,34)/t22-,27+/m1/s1.

What are the key properties of N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine?

N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine has a molecular weight of 520.66 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine is sourced from PubChem (CID 166547088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).