2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one

C39H42Cl2N6O3 — CID 167550571

About 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one

2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one (PubChem CID 167550571) has the molecular formula C39H42Cl2N6O3 and a molecular weight of 713.71 g/mol. Its IUPAC name is 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one.

Molecular Properties

• Compound Name: 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one
• PubChem CID: 167550571
• Molecular Formula: C39H42Cl2N6O3
• Molecular Weight: 713.71 g/mol
• Exact Mass: 712.27
• IUPAC Name: 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one
• SMILES: CCCN1CCc2c(C)cc(C(=O)Cc3cccc(-c4cccc(-c5cnc(CN6CCC7(CNC(=O)C7)C6)c(OC)n5)c4Cl)c3Cl)nc2C1
• InChI: InChI=1S/C39H42Cl2N6O3/c1-4-13-46-14-11-26-24(2)16-30(44-32(26)20-46)34(48)17-25-7-5-8-27(36(25)40)28-9-6-10-29(37(28)41)31-19-42-33(38(45-31)50-3)21-47-15-12-39(23-47)18-35(49)43-22-39/h5-10,16,19H,4,11-15,17-18,20-23H2,1-3H3,(H,43,49)
• InChIKey: HPCUTKDXLNNOAH-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 100.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.71
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one?

The IUPAC name of 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one (CID 167550571) is 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one.

What is the SMILES notation for 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one?

The canonical SMILES for 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one is CCCN1CCc2c(C)cc(C(=O)Cc3cccc(-c4cccc(-c5cnc(CN6CCC7(CNC(=O)C7)C6)c(OC)n5)c4Cl)c3Cl)nc2C1.

What is the InChIKey of 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one?

The InChIKey is HPCUTKDXLNNOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42Cl2N6O3/c1-4-13-46-14-11-26-24(2)16-30(44-32(26)20-46)34(48)17-25-7-5-8-27(36(25)40)28-9-6-10-29(37(28)41)31-19-42-33(38(45-31)50-3)21-47-15-12-39(23-47)18-35(49)43-22-39/h5-10,16,19H,4,11-15,17-18,20-23H2,1-3H3,(H,43,49).

What are the key properties of 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one?

2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one has a molecular weight of 713.71 g/mol, XLogP of 6.73, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[2-chloro-3-[2-chloro-3-[2-(4-methyl-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-2-oxoethyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one is sourced from PubChem (CID 167550571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).