6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole

C25H22ClFN4OS — CID 143997464

IUPAC6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole
SMILESCc1csc(-c2cc(=O)n(C)c3cnc(C(F)c4ccc(Cl)cc4)cc23)c1.Cn1ccnc1
InChIInChI=1S/C21H16ClFN2OS.C4H6N2/c1-12-7-19(27-11-12)16-9-20(26)25(2)18-10-24-17(8-15(16)18)21(23)13-3-5-14(22)6-4-13;1-6-3-2-5-4-6/h3-11,21H,1-2H3;2-4H,1H3
InChIKeyPJKISQIZXZYZNT-UHFFFAOYSA-N
MW481.00 g/mol
LogP6.10
Rot. Bonds3

About 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole

6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole (PubChem CID 143997464) has the molecular formula C25H22ClFN4OS and a molecular weight of 481.00 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole
PubChem CID143997464
Molecular FormulaC25H22ClFN4OS
Molecular Weight481.00 g/mol
Exact Mass480.12
IUPAC Name6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole
SMILESCc1csc(-c2cc(=O)n(C)c3cnc(C(F)c4ccc(Cl)cc4)cc23)c1.Cn1ccnc1
InChIInChI=1S/C21H16ClFN2OS.C4H6N2/c1-12-7-19(27-11-12)16-9-20(26)25(2)18-10-24-17(8-15(16)18)21(23)13-3-5-14(22)6-4-13;1-6-3-2-5-4-6/h3-11,21H,1-2H3;2-4H,1H3
InChIKeyPJKISQIZXZYZNT-UHFFFAOYSA-N
XLogP6.10
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997386
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997357
6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997344
6-[(4-chlorophenyl)-fluoromethyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997310
6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997364
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
CID 143997369
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997300
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997532
6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole
CID 143997536
4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole
CID 143910621
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methyl-4-pyridinyl)quinolin-2-one
CID 70942774

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole?
The IUPAC name of 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole (CID 143997464) is 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole.
What is the SMILES notation for 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole?
The canonical SMILES for 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole is Cc1csc(-c2cc(=O)n(C)c3cnc(C(F)c4ccc(Cl)cc4)cc23)c1.Cn1ccnc1.
What is the InChIKey of 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole?
The InChIKey is PJKISQIZXZYZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2OS.C4H6N2/c1-12-7-19(27-11-12)16-9-20(26)25(2)18-10-24-17(8-15(16)18)21(23)13-3-5-14(22)6-4-13;1-6-3-2-5-4-6/h3-11,21H,1-2H3;2-4H,1H3.
What are the key properties of 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole?
6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole has a molecular weight of 481.00 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole is sourced from PubChem (CID 143997464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).