6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one

C109H75Cl8F10N17O5 — CID 161114083

About 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one

6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one (PubChem CID 161114083) has the molecular formula C109H75Cl8F10N17O5 and a molecular weight of 2176.52 g/mol. Its IUPAC name is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one
• PubChem CID: 161114083
• Molecular Formula: C109H75Cl8F10N17O5
• Molecular Weight: 2176.52 g/mol
• Exact Mass: 2171.35
• IUPAC Name: 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one
• SMILES: C#Cc1cccc(-c2cc(=O)n(CC3CC3)c3ncc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cn1cncc1[C@@](Cl)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F.Cn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F.Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F
• InChI: InChI=1S/C31H25ClN4O2.C26H16Cl3F3N4O.C26H16Cl2F4N4O.C26H18Cl2F3N5O/c1-3-20-5-4-6-22(13-20)26-15-29(37)36(18-21-7-8-21)30-27(26)14-24(16-34-30)31(38,28-17-33-19-35(28)2)23-9-11-25(32)12-10-23;2*1-35-14-33-13-22(35)25(29,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(37)36(26(30,31)32)24(21)34-12-17;1-35-14-33-13-22(35)25(32,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(37)36(26(29,30)31)24(21)34-12-17/h1,4-6,9-17,19,21,38H,7-8,18H2,2H3;2*2-14H,1H3;2-14H,32H2,1H3/t31-;3*25-/m1111/s1
• InChIKey: UKBUXJOTDSCERH-WQGAZHRGSA-N
• XLogP: 24.91
• TPSA: 257.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2176.52
LogP ≤ 5	24.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one?

The IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one (CID 161114083) is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one.

What is the SMILES notation for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one?

The canonical SMILES for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one is C#Cc1cccc(-c2cc(=O)n(CC3CC3)c3ncc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cn1cncc1[C@@](Cl)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F.Cn1cncc1[C@@](F)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F.Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F.

What is the InChIKey of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one?

The InChIKey is UKBUXJOTDSCERH-WQGAZHRGSA-N. The full InChI is InChI=1S/C31H25ClN4O2.C26H16Cl3F3N4O.C26H16Cl2F4N4O.C26H18Cl2F3N5O/c1-3-20-5-4-6-22(13-20)26-15-29(37)36(18-21-7-8-21)30-27(26)14-24(16-34-30)31(38,28-17-33-19-35(28)2)23-9-11-25(32)12-10-23;2*1-35-14-33-13-22(35)25(29,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(37)36(26(30,31)32)24(21)34-12-17;1-35-14-33-13-22(35)25(32,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(37)36(26(29,30)31)24(21)34-12-17/h1,4-6,9-17,19,21,38H,7-8,18H2,2H3;2*2-14H,1H3;2-14H,32H2,1H3/t31-;3*25-/m1111/s1.

What are the key properties of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one?

6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one has a molecular weight of 2176.52 g/mol, XLogP of 24.91, 18 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 161114083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).