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

C131H148F3N23O10S2 — CID 158353224

IUPAC5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine
SMILESCCCc1cc(-n2cc(-c3ncc(CC4CCOCC4)cc3C)cn2)ccn1.CCCn1cc(-n2cc(-c3ccc(CS(=O)(=O)C4CC4)cc3C)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC(C)(C)C)cc3F)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC4(C)CC4)cc3F)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC4CCCC4)cc3F)cn2)ccc1=O.[C-]#[N+]c1cc(CS(=O)(=O)C2CC2)ccc1-c1cnn(-c2ccc(=O)n(CCC)c2)c1
InChIInChI=1S/C23H28N4O.C22H25FN4O.C22H22N4O3S.C22H25N3O3S.C21H23FN4O.C21H25FN4O/c1-3-4-21-13-22(5-8-24-21)27-16-20(15-26-27)23-17(2)11-19(14-25-23)12-18-6-9-28-10-7-18;1-2-9-26-15-19(7-8-22(26)28)27-14-17(12-25-27)20-13-24-18(11-21(20)23)10-16-5-3-4-6-16;1-3-10-25-14-18(5-9-22(25)27)26-13-17(12-24-26)20-8-4-16(11-21(20)23-2)15-30(28,29)19-6-7-19;1-3-10-24-14-19(5-9-22(24)26)25-13-18(12-23-25)21-8-4-17(11-16(21)2)15-29(27,28)20-6-7-20;1-3-8-25-14-17(4-5-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2)6-7-21;1-5-8-25-14-17(6-7-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2,3)4/h5,8,11,13-16,18H,3-4,6-7,9-10,12H2,1-2H3;7-8,11-16H,2-6,9-10H2,1H3;4-5,8-9,11-14,19H,3,6-7,10,15H2,1H3;4-5,8-9,11-14,20H,3,6-7,10,15H2,1-2H3;4-5,9,11-14H,3,6-8,10H2,1-2H3;6-7,9,11-14H,5,8,10H2,1-4H3
InChIKeyGSOMHCBSVSIQMP-UHFFFAOYSA-N
MW2325.90 g/mol
LogP24.39
Rot. Bonds37

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

5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine (PubChem CID 158353224) has the molecular formula C131H148F3N23O10S2 and a molecular weight of 2325.90 g/mol. Its IUPAC name is 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine
PubChem CID158353224
Molecular FormulaC131H148F3N23O10S2
Molecular Weight2325.90 g/mol
Exact Mass2324.12
IUPAC Name5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine
SMILESCCCc1cc(-n2cc(-c3ncc(CC4CCOCC4)cc3C)cn2)ccn1.CCCn1cc(-n2cc(-c3ccc(CS(=O)(=O)C4CC4)cc3C)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC(C)(C)C)cc3F)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC4(C)CC4)cc3F)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC4CCCC4)cc3F)cn2)ccc1=O.[C-]#[N+]c1cc(CS(=O)(=O)C2CC2)ccc1-c1cnn(-c2ccc(=O)n(CCC)c2)c1
InChIInChI=1S/C23H28N4O.C22H25FN4O.C22H22N4O3S.C22H25N3O3S.C21H23FN4O.C21H25FN4O/c1-3-4-21-13-22(5-8-24-21)27-16-20(15-26-27)23-17(2)11-19(14-25-23)12-18-6-9-28-10-7-18;1-2-9-26-15-19(7-8-22(26)28)27-14-17(12-25-27)20-13-24-18(11-21(20)23)10-16-5-3-4-6-16;1-3-10-25-14-18(5-9-22(25)27)26-13-17(12-24-26)20-8-4-16(11-21(20)23-2)15-30(28,29)19-6-7-19;1-3-10-24-14-19(5-9-22(24)26)25-13-18(12-23-25)21-8-4-17(11-16(21)2)15-29(27,28)20-6-7-20;1-3-8-25-14-17(4-5-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2)6-7-21;1-5-8-25-14-17(6-7-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2,3)4/h5,8,11,13-16,18H,3-4,6-7,9-10,12H2,1-2H3;7-8,11-16H,2-6,9-10H2,1H3;4-5,8-9,11-14,19H,3,6-7,10,15H2,1H3;4-5,8-9,11-14,20H,3,6-7,10,15H2,1-2H3;4-5,9,11-14H,3,6-8,10H2,1-2H3;6-7,9,11-14H,5,8,10H2,1-4H3
InChIKeyGSOMHCBSVSIQMP-UHFFFAOYSA-N
XLogP24.39
TPSA363.24 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds37
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.90
LogP ≤ 524.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine?
The IUPAC name of 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine (CID 158353224) is 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine is CCCc1cc(-n2cc(-c3ncc(CC4CCOCC4)cc3C)cn2)ccn1.CCCn1cc(-n2cc(-c3ccc(CS(=O)(=O)C4CC4)cc3C)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC(C)(C)C)cc3F)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC4(C)CC4)cc3F)cn2)ccc1=O.CCCn1cc(-n2cc(-c3cnc(CC4CCCC4)cc3F)cn2)ccc1=O.[C-]#[N+]c1cc(CS(=O)(=O)C2CC2)ccc1-c1cnn(-c2ccc(=O)n(CCC)c2)c1.
What is the InChIKey of 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine?
The InChIKey is GSOMHCBSVSIQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.C22H25FN4O.C22H22N4O3S.C22H25N3O3S.C21H23FN4O.C21H25FN4O/c1-3-4-21-13-22(5-8-24-21)27-16-20(15-26-27)23-17(2)11-19(14-25-23)12-18-6-9-28-10-7-18;1-2-9-26-15-19(7-8-22(26)28)27-14-17(12-25-27)20-13-24-18(11-21(20)23)10-16-5-3-4-6-16;1-3-10-25-14-18(5-9-22(25)27)26-13-17(12-24-26)20-8-4-16(11-21(20)23-2)15-30(28,29)19-6-7-19;1-3-10-24-14-19(5-9-22(24)26)25-13-18(12-23-25)21-8-4-17(11-16(21)2)15-29(27,28)20-6-7-20;1-3-8-25-14-17(4-5-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2)6-7-21;1-5-8-25-14-17(6-7-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2,3)4/h5,8,11,13-16,18H,3-4,6-7,9-10,12H2,1-2H3;7-8,11-16H,2-6,9-10H2,1H3;4-5,8-9,11-14,19H,3,6-7,10,15H2,1H3;4-5,8-9,11-14,20H,3,6-7,10,15H2,1-2H3;4-5,9,11-14H,3,6-8,10H2,1-2H3;6-7,9,11-14H,5,8,10H2,1-4H3.
What are the key properties of 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine?
5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine has a molecular weight of 2325.90 g/mol, XLogP of 24.39, 37 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-isocyanophenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-(cyclopropylsulfonylmethyl)-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;3-methyl-5-(oxan-4-ylmethyl)-2-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 158353224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).