6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one

C26H20ClFN4O2 — CID 75147733

IUPAC6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)c1)cc(=O)n2C
InChIInChI=1S/C26H20ClFN4O2/c1-31-15-29-14-23(31)26(34,17-6-8-19(27)9-7-17)18-11-22-21(16-4-3-5-20(28)10-16)12-24(33)32(2)25(22)30-13-18/h3-15,34H,1-2H3
InChIKeyCYTWDDZVOKNWGG-UHFFFAOYSA-N
MW474.92 g/mol
LogP4.41
Rot. Bonds4

About 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one

6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 75147733) has the molecular formula C26H20ClFN4O2 and a molecular weight of 474.92 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one
PubChem CID75147733
Molecular FormulaC26H20ClFN4O2
Molecular Weight474.92 g/mol
Exact Mass474.13
IUPAC Name6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)c1)cc(=O)n2C
InChIInChI=1S/C26H20ClFN4O2/c1-31-15-29-14-23(31)26(34,17-6-8-19(27)9-7-17)18-11-22-21(16-4-3-5-20(28)10-16)12-24(33)32(2)25(22)30-13-18/h3-15,34H,1-2H3
InChIKeyCYTWDDZVOKNWGG-UHFFFAOYSA-N
XLogP4.41
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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9-(3-Chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
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N-tert-butyl-4-[(2S)-13-chloro-10-[(1R)-1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]piperazine-1-carboxamide
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propan-2-yl 4-[(2S)-13-chloro-10-[(1R)-1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]piperazine-1-carboxylate
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N-tert-butyl-4-[(2S)-13-chloro-10-[(1S)-1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]piperazine-1-carboxamide
CID 59122530
propan-2-yl 4-[(2S)-13-chloro-10-[(1S)-1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]piperazine-1-carboxylate
CID 59122532
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CID 59122535
4-[(2S)-13-chloro-10-[(1S)-1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]-N-cyclohexylpiperazine-1-carboxamide
CID 59122545
N-benzyl-4-[(2S)-13-chloro-10-[(R)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]piperazine-1-carboxamide
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4-[(2S)-13-chloro-10-[(R)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]-N-cyclohexylpiperazine-1-carboxamide
CID 46232039

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one (CID 75147733) is 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)c1)cc(=O)n2C.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is CYTWDDZVOKNWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O2/c1-31-15-29-14-23(31)26(34,17-6-8-19(27)9-7-17)18-11-22-21(16-4-3-5-20(28)10-16)12-24(33)32(2)25(22)30-13-18/h3-15,34H,1-2H3.
What are the key properties of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one?
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 474.92 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 75147733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).