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

C28H23ClF5N9O2 — CID 175953165

About 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)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-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 175953165) has the molecular formula C28H23ClF5N9O2 and a molecular weight of 648.00 g/mol. Its IUPAC name is 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)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-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
• PubChem CID: 175953165
• Molecular Formula: C28H23ClF5N9O2
• Molecular Weight: 648.00 g/mol
• Exact Mass: 647.16
• IUPAC Name: 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
• SMILES: Fc1cc(Cl)cc(F)c1COc1nc2c(cc1C(F)(F)F)CCN(Cc1nc3cc(-c4nn[nH]n4)ncc3n1C[C@@H]1CCO1)C2
• InChI: InChI=1S/C28H23ClF5N9O2/c29-15-6-19(30)17(20(31)7-15)13-45-27-18(28(32,33)34)5-14-1-3-42(11-23(14)37-27)12-25-36-21-8-22(26-38-40-41-39-26)35-9-24(21)43(25)10-16-2-4-44-16/h5-9,16H,1-4,10-13H2,(H,38,39,40,41)/t16-/m0/s1
• InChIKey: HSXMVMWHNWMNIN-INIZCTEOSA-N
• XLogP: 4.88
• TPSA: 119.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	648.00
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)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-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine (CID 175953165) is 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)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-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)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-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine is Fc1cc(Cl)cc(F)c1COc1nc2c(cc1C(F)(F)F)CCN(Cc1nc3cc(-c4nn[nH]n4)ncc3n1C[C@@H]1CCO1)C2.

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

The InChIKey is HSXMVMWHNWMNIN-INIZCTEOSA-N. The full InChI is InChI=1S/C28H23ClF5N9O2/c29-15-6-19(30)17(20(31)7-15)13-45-27-18(28(32,33)34)5-14-1-3-42(11-23(14)37-27)12-25-36-21-8-22(26-38-40-41-39-26)35-9-24(21)43(25)10-16-2-4-44-16/h5-9,16H,1-4,10-13H2,(H,38,39,40,41)/t16-/m0/s1.

What are the key properties of 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)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-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 648.00 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chloro-2,6-difluorophenyl)methoxy]-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 175953165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).