6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane

C85H67Cl3N12O6 — CID 157451864

IUPAC6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane
SMILESC.C#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/3C28H21ClN4O2.CH4/c3*1-4-18-6-5-7-19(12-18)23-14-26(34)33(3)27-24(23)13-21(15-31-27)28(35,25-16-30-17-32(25)2)20-8-10-22(29)11-9-20;/h3*1,5-17,35H,2-3H3;1H4/t2*28-;;/m10../s1
InChIKeyBSWYHIWOLPFHET-JZXIZPHYSA-N
MW1458.91 g/mol
LogP13.39
Rot. Bonds12

About 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane

6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane (PubChem CID 157451864) has the molecular formula C85H67Cl3N12O6 and a molecular weight of 1458.91 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane
PubChem CID157451864
Molecular FormulaC85H67Cl3N12O6
Molecular Weight1458.91 g/mol
Exact Mass1456.44
IUPAC Name6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane
SMILESC.C#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/3C28H21ClN4O2.CH4/c3*1-4-18-6-5-7-19(12-18)23-14-26(34)33(3)27-24(23)13-21(15-31-27)28(35,25-16-30-17-32(25)2)20-8-10-22(29)11-9-20;/h3*1,5-17,35H,2-3H3;1H4/t2*28-;;/m10../s1
InChIKeyBSWYHIWOLPFHET-JZXIZPHYSA-N
XLogP13.39
TPSA218.82 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001458.91
LogP ≤ 513.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane with MolForge

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Related Compounds

6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one
CID 46205582
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 59334701
6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one
CID 59334705
6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
CID 59334709
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 59334718
6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one
CID 59334762
4-(3-Chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 72257895
6-[(4-Chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one
CID 72257898
6-[(4-Chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one
CID 75147733
4-[4-[[6-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-2-hydroxy-4-(3-methylphenyl)-2H-1,5-naphthyridin-1-yl]methyl]-3-fluorophenyl]-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one
CID 91547625
[2-[4-Chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol
CID 139372191
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-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,8-naphthyridin-2-one
CID 157634227

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane (CID 157451864) is 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane is C.C#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C)c3ncc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane?
The InChIKey is BSWYHIWOLPFHET-JZXIZPHYSA-N. The full InChI is InChI=1S/3C28H21ClN4O2.CH4/c3*1-4-18-6-5-7-19(12-18)23-14-26(34)33(3)27-24(23)13-21(15-31-27)28(35,25-16-30-17-32(25)2)20-8-10-22(29)11-9-20;/h3*1,5-17,35H,2-3H3;1H4/t2*28-;;/m10../s1.
What are the key properties of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane?
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane has a molecular weight of 1458.91 g/mol, XLogP of 13.39, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;methane is sourced from PubChem (CID 157451864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).