8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile

C30H26ClFN8O2 — CID 175385456

About 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile

8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile (PubChem CID 175385456) has the molecular formula C30H26ClFN8O2 and a molecular weight of 585.04 g/mol. Its IUPAC name is 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile
• PubChem CID: 175385456
• Molecular Formula: C30H26ClFN8O2
• Molecular Weight: 585.04 g/mol
• Exact Mass: 584.19
• IUPAC Name: 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile
• SMILES: CN1CCc2cccc(Oc3nc4c(Oc5c(Cl)c(F)cc6[nH]ncc56)nccc4c(N4CCNCC4)c3C#N)c2C1
• InChI: InChI=1S/C30H26ClFN8O2/c1-39-10-6-17-3-2-4-24(21(17)16-39)41-29-19(14-33)27(40-11-8-34-9-12-40)18-5-7-35-30(26(18)37-29)42-28-20-15-36-38-23(20)13-22(32)25(28)31/h2-5,7,13,15,34H,6,8-12,16H2,1H3,(H,36,38)
• InChIKey: SEDDLZJVRTVAGL-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 115.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.04
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile?

The IUPAC name of 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile (CID 175385456) is 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile.

What is the SMILES notation for 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile?

The canonical SMILES for 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile is CN1CCc2cccc(Oc3nc4c(Oc5c(Cl)c(F)cc6[nH]ncc56)nccc4c(N4CCNCC4)c3C#N)c2C1.

What is the InChIKey of 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile?

The InChIKey is SEDDLZJVRTVAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClFN8O2/c1-39-10-6-17-3-2-4-24(21(17)16-39)41-29-19(14-33)27(40-11-8-34-9-12-40)18-5-7-35-30(26(18)37-29)42-28-20-15-36-38-23(20)13-22(32)25(28)31/h2-5,7,13,15,34H,6,8-12,16H2,1H3,(H,36,38).

What are the key properties of 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile?

8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile has a molecular weight of 585.04 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-4-piperazin-1-yl-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 175385456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).