2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone

C38H39Cl2F2N5O4 — CID 167643190

About 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone

2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone (PubChem CID 167643190) has the molecular formula C38H39Cl2F2N5O4 and a molecular weight of 738.66 g/mol. Its IUPAC name is 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone
• PubChem CID: 167643190
• Molecular Formula: C38H39Cl2F2N5O4
• Molecular Weight: 738.66 g/mol
• Exact Mass: 737.23
• IUPAC Name: 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone
• SMILES: CCCN1CCc2c(OC(F)F)cc(C(=O)Cc3cccc(-c4cccc(-c5cnc(CN6CC7(CC(O)C7)C6)c(OC)n5)c4Cl)c3Cl)nc2C1
• InChI: InChI=1S/C38H39Cl2F2N5O4/c1-3-11-46-12-10-26-30(18-46)44-28(14-33(26)51-37(41)42)32(49)13-22-6-4-7-24(34(22)39)25-8-5-9-27(35(25)40)29-17-43-31(36(45-29)50-2)19-47-20-38(21-47)15-23(48)16-38/h4-9,14,17,23,37,48H,3,10-13,15-16,18-21H2,1-2H3
• InChIKey: RVCXZCYTAYOGMV-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 100.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.66
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone?

The IUPAC name of 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone (CID 167643190) is 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone.

What is the SMILES notation for 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone?

The canonical SMILES for 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone is CCCN1CCc2c(OC(F)F)cc(C(=O)Cc3cccc(-c4cccc(-c5cnc(CN6CC7(CC(O)C7)C6)c(OC)n5)c4Cl)c3Cl)nc2C1.

What is the InChIKey of 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone?

The InChIKey is RVCXZCYTAYOGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39Cl2F2N5O4/c1-3-11-46-12-10-26-30(18-46)44-28(14-33(26)51-37(41)42)32(49)13-22-6-4-7-24(34(22)39)25-8-5-9-27(35(25)40)29-17-43-31(36(45-29)50-2)19-47-20-38(21-47)15-23(48)16-38/h4-9,14,17,23,37,48H,3,10-13,15-16,18-21H2,1-2H3.

What are the key properties of 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone?

2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone has a molecular weight of 738.66 g/mol, XLogP of 7.27, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-[4-(difluoromethoxy)-7-propyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 167643190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).