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

C31H26ClF7N8O2 — CID 175953071

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

2-[(4-chloro-2-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 175953071) has the molecular formula C31H26ClF7N8O2 and a molecular weight of 711.04 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-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-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
• PubChem CID: 175953071
• Molecular Formula: C31H26ClF7N8O2
• Molecular Weight: 711.04 g/mol
• Exact Mass: 710.18
• IUPAC Name: 2-[(4-chloro-2-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
• SMILES: Fc1cc(Cl)ccc1COc1nc2c(cc1C(F)(F)F)CCN(Cc1nc3cc(-c4n[nH]c(C(F)(F)F)n4)ncc3n1C[C@@H]1CCCO1)C2
• InChI: InChI=1S/C31H26ClF7N8O2/c32-18-4-3-17(21(33)9-18)15-49-28-20(30(34,35)36)8-16-5-6-46(13-24(16)42-28)14-26-41-22-10-23(27-43-29(45-44-27)31(37,38)39)40-11-25(22)47(26)12-19-2-1-7-48-19/h3-4,8-11,19H,1-2,5-7,12-15H2,(H,43,44,45)/t19-/m0/s1
• InChIKey: ZHCAHRQKHPNRFW-IBGZPJMESA-N
• XLogP: 6.76
• TPSA: 106.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.04
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-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-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine (CID 175953071) is 2-[(4-chloro-2-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-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-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-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-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine is Fc1cc(Cl)ccc1COc1nc2c(cc1C(F)(F)F)CCN(Cc1nc3cc(-c4n[nH]c(C(F)(F)F)n4)ncc3n1C[C@@H]1CCCO1)C2.

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

The InChIKey is ZHCAHRQKHPNRFW-IBGZPJMESA-N. The full InChI is InChI=1S/C31H26ClF7N8O2/c32-18-4-3-17(21(33)9-18)15-49-28-20(30(34,35)36)8-16-5-6-46(13-24(16)42-28)14-26-41-22-10-23(27-43-29(45-44-27)31(37,38)39)40-11-25(22)47(26)12-19-2-1-7-48-19/h3-4,8-11,19H,1-2,5-7,12-15H2,(H,43,44,45)/t19-/m0/s1.

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

2-[(4-chloro-2-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 711.04 g/mol, XLogP of 6.76, 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-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 175953071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).