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

C30H26ClF5N8O2 — CID 175953217

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

2-[(4-chloro-2,6-difluorophenyl)methoxy]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 175953217) 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]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

• Compound Name: 2-[(4-chloro-2,6-difluorophenyl)methoxy]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine
• PubChem CID: 175953217
• Molecular Formula: C30H26ClF5N8O2
• Molecular Weight: 661.04 g/mol
• Exact Mass: 660.18
• IUPAC Name: 2-[(4-chloro-2,6-difluorophenyl)methoxy]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine
• SMILES: Cc1cc2c(nc1OCc1c(F)cc(Cl)cc1F)CN(Cc1nc3cc(-c4n[nH]c(C(F)(F)F)n4)cnc3n1C[C@@H]1CCO1)CC2
• InChI: InChI=1S/C30H26ClF5N8O2/c1-15-6-16-2-4-43(12-24(16)39-28(15)46-14-20-21(32)8-18(31)9-22(20)33)13-25-38-23-7-17(26-40-29(42-41-26)30(34,35)36)10-37-27(23)44(25)11-19-3-5-45-19/h6-10,19H,2-5,11-14H2,1H3,(H,40,41,42)/t19-/m0/s1
• InChIKey: QDLLYYRQBVPDFV-IBGZPJMESA-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]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine?

The IUPAC name of 2-[(4-chloro-2,6-difluorophenyl)methoxy]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine (CID 175953217) is 2-[(4-chloro-2,6-difluorophenyl)methoxy]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine.

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

The canonical SMILES for 2-[(4-chloro-2,6-difluorophenyl)methoxy]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine is Cc1cc2c(nc1OCc1c(F)cc(Cl)cc1F)CN(Cc1nc3cc(-c4n[nH]c(C(F)(F)F)n4)cnc3n1C[C@@H]1CCO1)CC2.

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

The InChIKey is QDLLYYRQBVPDFV-IBGZPJMESA-N. The full InChI is InChI=1S/C30H26ClF5N8O2/c1-15-6-16-2-4-43(12-24(16)39-28(15)46-14-20-21(32)8-18(31)9-22(20)33)13-25-38-23-7-17(26-40-29(42-41-26)30(34,35)36)10-37-27(23)44(25)11-19-3-5-45-19/h6-10,19H,2-5,11-14H2,1H3,(H,40,41,42)/t19-/m0/s1.

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

2-[(4-chloro-2,6-difluorophenyl)methoxy]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-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]-3-methyl-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridin-2-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 175953217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).