6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one

C25H20ClFN4OS — CID 75146882

IUPAC6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one
SMILESCc1ccc(-c2cc(=O)n(C)c3cnc(C(F)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1
InChIInChI=1S/C25H20ClFN4OS/c1-15-4-9-21(33-15)19-11-24(32)31(3)20-12-29-22(10-18(19)20)25(27,23-13-28-14-30(23)2)16-5-7-17(26)8-6-16/h4-14H,1-3H3
InChIKeyPRJOSUDOBRIMJL-UHFFFAOYSA-N
MW478.98 g/mol
LogP5.62
Rot. Bonds4

About 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one

6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one (PubChem CID 75146882) has the molecular formula C25H20ClFN4OS and a molecular weight of 478.98 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one
PubChem CID75146882
Molecular FormulaC25H20ClFN4OS
Molecular Weight478.98 g/mol
Exact Mass478.10
IUPAC Name6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one
SMILESCc1ccc(-c2cc(=O)n(C)c3cnc(C(F)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1
InChIInChI=1S/C25H20ClFN4OS/c1-15-4-9-21(33-15)19-11-24(32)31(3)20-12-29-22(10-18(19)20)25(27,23-13-28-14-30(23)2)16-5-7-17(26)8-6-16/h4-14H,1-3H3
InChIKeyPRJOSUDOBRIMJL-UHFFFAOYSA-N
XLogP5.62
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-Chloro-thiophen-2-yl)-5-imidazol-1-ylmethyl-pyridine
CID 67511528
6-(4-chlorophenyl)-3-[2-(1H-imidazol-1-ylmethyl)-6-quinolinyl]thieno[3,2-d]pyrimidin-4(3H)-one
CID 11993892
1-[4-[[2-(4-Chlorophenyl)-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 121309917
1-[(5-Chloro-2-thienyl)-(1-methyl-4-phenyl-pyrrol-3-yl)methyl]imidazole
CID 460726
1-(4-chlorophenyl)-N-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 134794448
2-(5-chlorothiophen-2-yl)-N-[3-(1H-imidazol-1-yl)propyl]quinoline-4-carboxamide
CID 2931050
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-3-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 134792701
1-{[2-(4-Chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-A]pyridin-3-YL]methyl}-4-(thiophene-2-carbonyl)piperazine
CID 83286727
1-{[6-(3-Chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-A]pyridin-3-YL]methyl}-4-(thiophene-2-carbonyl)piperazine
CID 83290342
4-(5-{5-[1-(2,5-Dichloro-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-thiophen-2-yl}-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 15948037
3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
CID 18732935
6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,8-naphthyridin-2-one
CID 46202679

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one (CID 75146882) is 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one is Cc1ccc(-c2cc(=O)n(C)c3cnc(C(F)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.
What is the InChIKey of 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one?
The InChIKey is PRJOSUDOBRIMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4OS/c1-15-4-9-21(33-15)19-11-24(32)31(3)20-12-29-22(10-18(19)20)25(27,23-13-28-14-30(23)2)16-5-7-17(26)8-6-16/h4-14H,1-3H3.
What are the key properties of 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one?
6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one has a molecular weight of 478.98 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one is sourced from PubChem (CID 75146882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).