2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine

C30H26ClF5N8O2 — CID 175953060

About 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine

2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 175953060) has the molecular formula C30H26ClF5N8O2 and a molecular weight of 661.04 g/mol. Its IUPAC name is 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

• Compound Name: 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
• PubChem CID: 175953060
• Molecular Formula: C30H26ClF5N8O2
• Molecular Weight: 661.04 g/mol
• Exact Mass: 660.18
• IUPAC Name: 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
• SMILES: Cc1nc(-c2cc3nc(CN4CCc5cc(C(F)(F)F)c(OCc6c(F)cc(Cl)cc6F)nc5C4)n(C[C@@H]4CCO4)c3cn2)n[nH]1
• InChI: InChI=1S/C30H26ClF5N8O2/c1-15-38-28(42-41-15)24-9-23-26(10-37-24)44(11-18-3-5-45-18)27(39-23)13-43-4-2-16-6-20(30(34,35)36)29(40-25(16)12-43)46-14-19-21(32)7-17(31)8-22(19)33/h6-10,18H,2-5,11-14H2,1H3,(H,38,41,42)/t18-/m0/s1
• InChIKey: DELRXDYEYLEEOG-SFHVURJKSA-N
• XLogP: 5.80
• TPSA: 106.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.04
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine?

The IUPAC name of 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine (CID 175953060) is 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine.

What is the SMILES notation for 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine?

The canonical SMILES for 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine is Cc1nc(-c2cc3nc(CN4CCc5cc(C(F)(F)F)c(OCc6c(F)cc(Cl)cc6F)nc5C4)n(C[C@@H]4CCO4)c3cn2)n[nH]1.

What is the InChIKey of 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine?

The InChIKey is DELRXDYEYLEEOG-SFHVURJKSA-N. The full InChI is InChI=1S/C30H26ClF5N8O2/c1-15-38-28(42-41-15)24-9-23-26(10-37-24)44(11-18-3-5-45-18)27(39-23)13-43-4-2-16-6-20(30(34,35)36)29(40-25(16)12-43)46-14-19-21(32)7-17(31)8-22(19)33/h6-10,18H,2-5,11-14H2,1H3,(H,38,41,42)/t18-/m0/s1.

What are the key properties of 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine?

2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 661.04 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 175953060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).