5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one

C128H144F5N23O10S — CID 157196211

IUPAC5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2ccc(-c3ccc(CS(=O)(=O)C4CC4)cc3C)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC(C)(C)C)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4(C)CC4)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4CCCC4)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4CCOCC4)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4COC4)cc3F)n2)ccc1=O
InChIInChI=1S/C22H25FN4O2.C22H25FN4O.C22H25N3O3S.C21H23FN4O.C21H25FN4O.C20H21FN4O2/c1-2-8-26-15-18(3-4-22(26)28)27-9-5-21(25-27)19-14-24-17(13-20(19)23)12-16-6-10-29-11-7-16;1-2-10-26-15-18(7-8-22(26)28)27-11-9-21(25-27)19-14-24-17(13-20(19)23)12-16-5-3-4-6-16;1-3-11-24-14-18(5-9-22(24)26)25-12-10-21(23-25)20-8-4-17(13-16(20)2)15-29(27,28)19-6-7-19;1-3-9-25-14-16(4-5-20(25)27)26-10-6-19(24-26)17-13-23-15(11-18(17)22)12-21(2)7-8-21;1-5-9-25-14-16(6-7-20(25)27)26-10-8-19(24-26)17-13-23-15(11-18(17)22)12-21(2,3)4;1-2-6-24-11-16(3-4-20(24)26)25-7-5-19(23-25)17-10-22-15(9-18(17)21)8-14-12-27-13-14/h3-5,9,13-16H,2,6-8,10-12H2,1H3;7-9,11,13-16H,2-6,10,12H2,1H3;4-5,8-10,12-14,19H,3,6-7,11,15H2,1-2H3;4-6,10-11,13-14H,3,7-9,12H2,1-2H3;6-8,10-11,13-14H,5,9,12H2,1-4H3;3-5,7,9-11,14H,2,6,8,12-13H2,1H3
InChIKeyAQGYJQMFSRRPOY-UHFFFAOYSA-N
MW2291.77 g/mol
LogP22.54
Rot. Bonds36

About 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one

5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 157196211) has the molecular formula C128H144F5N23O10S and a molecular weight of 2291.77 g/mol. Its IUPAC name is 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID157196211
Molecular FormulaC128H144F5N23O10S
Molecular Weight2291.77 g/mol
Exact Mass2290.11
IUPAC Name5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2ccc(-c3ccc(CS(=O)(=O)C4CC4)cc3C)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC(C)(C)C)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4(C)CC4)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4CCCC4)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4CCOCC4)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4COC4)cc3F)n2)ccc1=O
InChIInChI=1S/C22H25FN4O2.C22H25FN4O.C22H25N3O3S.C21H23FN4O.C21H25FN4O.C20H21FN4O2/c1-2-8-26-15-18(3-4-22(26)28)27-9-5-21(25-27)19-14-24-17(13-20(19)23)12-16-6-10-29-11-7-16;1-2-10-26-15-18(7-8-22(26)28)27-11-9-21(25-27)19-14-24-17(13-20(19)23)12-16-5-3-4-6-16;1-3-11-24-14-18(5-9-22(24)26)25-12-10-21(23-25)20-8-4-17(13-16(20)2)15-29(27,28)19-6-7-19;1-3-9-25-14-16(4-5-20(25)27)26-10-6-19(24-26)17-13-23-15(11-18(17)22)12-21(2)7-8-21;1-5-9-25-14-16(6-7-20(25)27)26-10-8-19(24-26)17-13-23-15(11-18(17)22)12-21(2,3)4;1-2-6-24-11-16(3-4-20(24)26)25-7-5-19(23-25)17-10-22-15(9-18(17)21)8-14-12-27-13-14/h3-5,9,13-16H,2,6-8,10-12H2,1H3;7-9,11,13-16H,2-6,10,12H2,1H3;4-5,8-10,12-14,19H,3,6-7,11,15H2,1-2H3;4-6,10-11,13-14H,3,7-9,12H2,1-2H3;6-8,10-11,13-14H,5,9,12H2,1-4H3;3-5,7,9-11,14H,2,6,8,12-13H2,1H3
InChIKeyAQGYJQMFSRRPOY-UHFFFAOYSA-N
XLogP22.54
TPSA355.97 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002291.77
LogP ≤ 522.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 157196211) is 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2ccc(-c3ccc(CS(=O)(=O)C4CC4)cc3C)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC(C)(C)C)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4(C)CC4)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4CCCC4)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4CCOCC4)cc3F)n2)ccc1=O.CCCn1cc(-n2ccc(-c3cnc(CC4COC4)cc3F)n2)ccc1=O.
What is the InChIKey of 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is AQGYJQMFSRRPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2.C22H25FN4O.C22H25N3O3S.C21H23FN4O.C21H25FN4O.C20H21FN4O2/c1-2-8-26-15-18(3-4-22(26)28)27-9-5-21(25-27)19-14-24-17(13-20(19)23)12-16-6-10-29-11-7-16;1-2-10-26-15-18(7-8-22(26)28)27-11-9-21(25-27)19-14-24-17(13-20(19)23)12-16-5-3-4-6-16;1-3-11-24-14-18(5-9-22(24)26)25-12-10-21(23-25)20-8-4-17(13-16(20)2)15-29(27,28)19-6-7-19;1-3-9-25-14-16(4-5-20(25)27)26-10-6-19(24-26)17-13-23-15(11-18(17)22)12-21(2)7-8-21;1-5-9-25-14-16(6-7-20(25)27)26-10-8-19(24-26)17-13-23-15(11-18(17)22)12-21(2,3)4;1-2-6-24-11-16(3-4-20(24)26)25-7-5-19(23-25)17-10-22-15(9-18(17)21)8-14-12-27-13-14/h3-5,9,13-16H,2,6-8,10-12H2,1H3;7-9,11,13-16H,2-6,10,12H2,1H3;4-5,8-10,12-14,19H,3,6-7,11,15H2,1-2H3;4-6,10-11,13-14H,3,7-9,12H2,1-2H3;6-8,10-11,13-14H,5,9,12H2,1-4H3;3-5,7,9-11,14H,2,6,8,12-13H2,1H3.
What are the key properties of 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 2291.77 g/mol, XLogP of 22.54, 36 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[3-[4-fluoro-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 157196211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).