5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol

C43H44FN13O2 — CID 170011873

About 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol

5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol (PubChem CID 170011873) has the molecular formula C43H44FN13O2 and a molecular weight of 793.91 g/mol. Its IUPAC name is 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol.

Molecular Properties

• Compound Name: 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol
• PubChem CID: 170011873
• Molecular Formula: C43H44FN13O2
• Molecular Weight: 793.91 g/mol
• Exact Mass: 793.37
• IUPAC Name: 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol
• SMILES: COc1nc(-c2cc3cn(C)nc3c(C)c2O)nc2ncc(N3CC(C4CN(c5cnc6nc(-c7cc(F)c8nn(C)cc8c7)ccc6c5)C[C@@H](C)N4)N[C@H](C)C3)cc12
• InChI: InChI=1S/C43H44FN13O2/c1-22-16-56(29-10-25-7-8-34(49-40(25)45-14-29)26-9-27-18-55(5)53-38(27)33(44)12-26)20-35(47-22)36-21-57(17-23(2)48-36)30-13-32-41(46-15-30)50-42(51-43(32)59-6)31-11-28-19-54(4)52-37(28)24(3)39(31)58/h7-15,18-19,22-23,35-36,47-48,58H,16-17,20-21H2,1-6H3/t22-,23-,35?,36?/m1/s1
• InChIKey: VYDZOJBJBQSIAQ-ZXYLBRJMSA-N
• XLogP: 5.27
• TPSA: 160.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	793.91
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol?

The IUPAC name of 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol (CID 170011873) is 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol.

What is the SMILES notation for 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol?

The canonical SMILES for 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol is COc1nc(-c2cc3cn(C)nc3c(C)c2O)nc2ncc(N3CC(C4CN(c5cnc6nc(-c7cc(F)c8nn(C)cc8c7)ccc6c5)C[C@@H](C)N4)N[C@H](C)C3)cc12.

What is the InChIKey of 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol?

The InChIKey is VYDZOJBJBQSIAQ-ZXYLBRJMSA-N. The full InChI is InChI=1S/C43H44FN13O2/c1-22-16-56(29-10-25-7-8-34(49-40(25)45-14-29)26-9-27-18-55(5)53-38(27)33(44)12-26)20-35(47-22)36-21-57(17-23(2)48-36)30-13-32-41(46-15-30)50-42(51-43(32)59-6)31-11-28-19-54(4)52-37(28)24(3)39(31)58/h7-15,18-19,22-23,35-36,47-48,58H,16-17,20-21H2,1-6H3/t22-,23-,35?,36?/m1/s1.

What are the key properties of 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol?

5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol has a molecular weight of 793.91 g/mol, XLogP of 5.27, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 170011873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).