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

C25H20ClFN4OS — CID 75146880

IUPAC6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one
SMILESCc1csc(-c2cc(=O)n(C)c3cnc(C(F)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C25H20ClFN4OS/c1-15-8-21(33-13-15)19-10-24(32)31(3)20-11-29-22(9-18(19)20)25(27,23-12-28-14-30(23)2)16-4-6-17(26)7-5-16/h4-14H,1-3H3
InChIKeySMMFYAPNQBEBPH-UHFFFAOYSA-N
MW478.98 g/mol
LogP5.62
Rot. Bonds4

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

6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one (PubChem CID 75146880) 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-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one
PubChem CID75146880
Molecular FormulaC25H20ClFN4OS
Molecular Weight478.98 g/mol
Exact Mass478.10
IUPAC Name6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one
SMILESCc1csc(-c2cc(=O)n(C)c3cnc(C(F)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C25H20ClFN4OS/c1-15-8-21(33-13-15)19-10-24(32)31(3)20-11-29-22(9-18(19)20)25(27,23-12-28-14-30(23)2)16-4-6-17(26)7-5-16/h4-14H,1-3H3
InChIKeySMMFYAPNQBEBPH-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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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one (CID 75146880) is 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-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-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one is Cc1csc(-c2cc(=O)n(C)c3cnc(C(F)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.
What is the InChIKey of 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one?
The InChIKey is SMMFYAPNQBEBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4OS/c1-15-8-21(33-13-15)19-10-24(32)31(3)20-11-29-22(9-18(19)20)25(27,23-12-28-14-30(23)2)16-4-6-17(26)7-5-16/h4-14H,1-3H3.
What are the key properties of 6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one?
6-[(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(4-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-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one is sourced from PubChem (CID 75146880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).