1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione

C110H97F6N11O17 — CID 167552783

IUPAC1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione
SMILESCOc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccn1.COc1ccc(C(=O)CCC(=O)c2cc(C)on2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccnc(C)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccncn2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2cncc(F)c2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C23H21FN2O4.C23H21FN2O3.C22H18F2N2O3.C21H18FN3O3.C21H19FN2O4/c1-14-12-16(4-5-17(14)24)23-21(29-2)9-6-18(26-23)20(28)8-7-19(27)15-10-11-25-22(13-15)30-3;1-14-12-17(4-5-18(14)24)23-22(29-3)9-6-19(26-23)21(28)8-7-20(27)16-10-11-25-15(2)13-16;1-13-9-14(3-4-17(13)24)22-21(29-2)8-5-18(26-22)20(28)7-6-19(27)15-10-16(23)12-25-11-15;1-13-11-14(3-4-15(13)22)21-20(28-2)8-5-17(25-21)19(27)7-6-18(26)16-9-10-23-12-24-16;1-12-10-14(4-5-15(12)22)21-20(27-3)9-6-16(23-21)18(25)7-8-19(26)17-11-13(2)28-24-17/h4-6,9-13H,7-8H2,1-3H3;4-6,9-13H,7-8H2,1-3H3;3-5,8-12H,6-7H2,1-2H3;3-5,8-12H,6-7H2,1-2H3;4-6,9-11H,7-8H2,1-3H3
InChIKeyCPWZVRGWJWPBSM-UHFFFAOYSA-N
MW1959.03 g/mol
LogP21.98
Rot. Bonds36

About 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione

1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione (PubChem CID 167552783) has the molecular formula C110H97F6N11O17 and a molecular weight of 1959.03 g/mol. Its IUPAC name is 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione
PubChem CID167552783
Molecular FormulaC110H97F6N11O17
Molecular Weight1959.03 g/mol
Exact Mass1957.70
IUPAC Name1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione
SMILESCOc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccn1.COc1ccc(C(=O)CCC(=O)c2cc(C)on2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccnc(C)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccncn2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2cncc(F)c2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C23H21FN2O4.C23H21FN2O3.C22H18F2N2O3.C21H18FN3O3.C21H19FN2O4/c1-14-12-16(4-5-17(14)24)23-21(29-2)9-6-18(26-23)20(28)8-7-19(27)15-10-11-25-22(13-15)30-3;1-14-12-17(4-5-18(14)24)23-22(29-3)9-6-19(26-23)21(28)8-7-20(27)16-10-11-25-15(2)13-16;1-13-9-14(3-4-17(13)24)22-21(29-2)8-5-18(26-22)20(28)7-6-19(27)15-10-16(23)12-25-11-15;1-13-11-14(3-4-15(13)22)21-20(28-2)8-5-17(25-21)19(27)7-6-18(26)16-9-10-23-12-24-16;1-12-10-14(4-5-15(12)22)21-20(27-3)9-6-16(23-21)18(25)7-8-19(26)17-11-13(2)28-24-17/h4-6,9-13H,7-8H2,1-3H3;4-6,9-13H,7-8H2,1-3H3;3-5,8-12H,6-7H2,1-2H3;3-5,8-12H,6-7H2,1-2H3;4-6,9-11H,7-8H2,1-3H3
InChIKeyCPWZVRGWJWPBSM-UHFFFAOYSA-N
XLogP21.98
TPSA381.01 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001959.03
LogP ≤ 521.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione
CID 167552786
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione
CID 167601025
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-nitrophenyl)butane-1,4-dione
CID 167664309
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]butane-1,4-dione
CID 167552594
1-[6-(4-chloro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 167596972
1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione
CID 146835922
2-(2,5-dimethoxyphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198800
1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-methylfuro[2,3-c]pyridin-5-yl]butane-1,4-dione
CID 159855484
4-[4-(4-fluoro-3-methylphenyl)-5-methoxypyrimidin-2-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 162241747
(2S)-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methylbutane-1,4-dione
CID 167569129
4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one
CID 158184316
(2S)-1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-(hydroxymethyl)butane-1,4-dione
CID 167561694

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione?
The IUPAC name of 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione (CID 167552783) is 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione.
What is the SMILES notation for 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione?
The canonical SMILES for 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione is COc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccn1.COc1ccc(C(=O)CCC(=O)c2cc(C)on2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccnc(C)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccncn2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2cncc(F)c2)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione?
The InChIKey is CPWZVRGWJWPBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4.C23H21FN2O3.C22H18F2N2O3.C21H18FN3O3.C21H19FN2O4/c1-14-12-16(4-5-17(14)24)23-21(29-2)9-6-18(26-23)20(28)8-7-19(27)15-10-11-25-22(13-15)30-3;1-14-12-17(4-5-18(14)24)23-22(29-3)9-6-19(26-23)21(28)8-7-20(27)16-10-11-25-15(2)13-16;1-13-9-14(3-4-17(13)24)22-21(29-2)8-5-18(26-22)20(28)7-6-19(27)15-10-16(23)12-25-11-15;1-13-11-14(3-4-15(13)22)21-20(28-2)8-5-17(25-21)19(27)7-6-18(26)16-9-10-23-12-24-16;1-12-10-14(4-5-15(12)22)21-20(27-3)9-6-16(23-21)18(25)7-8-19(26)17-11-13(2)28-24-17/h4-6,9-13H,7-8H2,1-3H3;4-6,9-13H,7-8H2,1-3H3;3-5,8-12H,6-7H2,1-2H3;3-5,8-12H,6-7H2,1-2H3;4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione?
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione has a molecular weight of 1959.03 g/mol, XLogP of 21.98, 36 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methoxy-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(2-methyl-4-pyridinyl)butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-pyrimidin-4-ylbutane-1,4-dione is sourced from PubChem (CID 167552783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).