2-[(4-chloro-2-fluorophenyl)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

C28H24ClF4N9O2 — CID 175953143

About 2-[(4-chloro-2-fluorophenyl)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-fluorophenyl)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 175953143) has the molecular formula C28H24ClF4N9O2 and a molecular weight of 630.01 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)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-fluorophenyl)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: 175953143
• Molecular Formula: C28H24ClF4N9O2
• Molecular Weight: 630.01 g/mol
• Exact Mass: 629.17
• IUPAC Name: 2-[(4-chloro-2-fluorophenyl)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)ccc1COc1nc2c(cc1C(F)(F)F)CCN(Cc1nc3cc(-c4nn[nH]n4)ncc3n1C[C@@H]1CCO1)C2
• InChI: InChI=1S/C28H24ClF4N9O2/c29-17-2-1-16(20(30)8-17)14-44-27-19(28(31,32)33)7-15-3-5-41(12-23(15)36-27)13-25-35-21-9-22(26-37-39-40-38-26)34-10-24(21)42(25)11-18-4-6-43-18/h1-2,7-10,18H,3-6,11-14H2,(H,37,38,39,40)/t18-/m0/s1
• InChIKey: XZAQQEZQNUDCHB-SFHVURJKSA-N
• XLogP: 4.74
• TPSA: 119.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.01
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)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-fluorophenyl)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 175953143) is 2-[(4-chloro-2-fluorophenyl)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-fluorophenyl)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-fluorophenyl)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)ccc1COc1nc2c(cc1C(F)(F)F)CCN(Cc1nc3cc(-c4nn[nH]n4)ncc3n1C[C@@H]1CCO1)C2.

What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)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 XZAQQEZQNUDCHB-SFHVURJKSA-N. The full InChI is InChI=1S/C28H24ClF4N9O2/c29-17-2-1-16(20(30)8-17)14-44-27-19(28(31,32)33)7-15-3-5-41(12-23(15)36-27)13-25-35-21-9-22(26-37-39-40-38-26)34-10-24(21)42(25)11-18-4-6-43-18/h1-2,7-10,18H,3-6,11-14H2,(H,37,38,39,40)/t18-/m0/s1.

What are the key properties of 2-[(4-chloro-2-fluorophenyl)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-fluorophenyl)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 630.01 g/mol, XLogP of 4.74, 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-fluorophenyl)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 175953143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).