1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea

C106H110F3N27O15S5 — CID 158251246

IUPAC1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea
SMILESCC(C)c1cccc(-n2ccnc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)cc(F)c3c2CCC3)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)cc(F)cc2-c2cccnc2)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)ccc3ccccc23)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)n1
InChIInChI=1S/C23H21FN6O3S.C22H21N5O3S.2C21H22FN5O3S.C19H24N6O3S/c1-15(2)30-10-7-21(28-30)34(32,33)29-23(31)27-22-19(16-5-3-8-25-13-16)11-18(24)12-20(22)17-6-4-9-26-14-17;1-15(2)27-13-11-20(25-27)31(29,30)26-22(28)24-21-18-8-4-3-6-16(18)9-10-19(21)17-7-5-12-23-14-17;1-13(2)27-10-8-19(25-27)31(29,30)26-21(28)24-20-16-7-3-6-15(16)18(22)11-17(20)14-5-4-9-23-12-14;1-13(2)27-11-8-19(25-27)31(29,30)26-21(28)24-20-16-5-3-4-15(16)18(22)12-17(20)14-6-9-23-10-7-14;1-13(2)15-6-5-7-16(24-11-9-20-12-24)18(15)21-19(26)23-29(27,28)17-8-10-25(22-17)14(3)4/h3-15H,1-2H3,(H2,27,29,31);3-15H,1-2H3,(H2,24,26,28);4-5,8-13H,3,6-7H2,1-2H3,(H2,24,26,28);6-13H,3-5H2,1-2H3,(H2,24,26,28);5-14H,1-4H3,(H2,21,23,26)
InChIKeyGGSWPTQPBPAOQL-UHFFFAOYSA-N
MW2219.55 g/mol
LogP19.04
Rot. Bonds27

About 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea

1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea (PubChem CID 158251246) has the molecular formula C106H110F3N27O15S5 and a molecular weight of 2219.55 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea
PubChem CID158251246
Molecular FormulaC106H110F3N27O15S5
Molecular Weight2219.55 g/mol
Exact Mass2217.72
IUPAC Name1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea
SMILESCC(C)c1cccc(-n2ccnc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)cc(F)c3c2CCC3)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)cc(F)cc2-c2cccnc2)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)ccc3ccccc23)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)n1
InChIInChI=1S/C23H21FN6O3S.C22H21N5O3S.2C21H22FN5O3S.C19H24N6O3S/c1-15(2)30-10-7-21(28-30)34(32,33)29-23(31)27-22-19(16-5-3-8-25-13-16)11-18(24)12-20(22)17-6-4-9-26-14-17;1-15(2)27-13-11-20(25-27)31(29,30)26-22(28)24-21-18-8-4-3-6-16(18)9-10-19(21)17-7-5-12-23-14-17;1-13(2)27-10-8-19(25-27)31(29,30)26-21(28)24-20-16-7-3-6-15(16)18(22)11-17(20)14-5-4-9-23-12-14;1-13(2)27-11-8-19(25-27)31(29,30)26-21(28)24-20-16-5-3-4-15(16)18(22)12-17(20)14-6-9-23-10-7-14;1-13(2)15-6-5-7-16(24-11-9-20-12-24)18(15)21-19(26)23-29(27,28)17-8-10-25(22-17)14(3)4/h3-15H,1-2H3,(H2,27,29,31);3-15H,1-2H3,(H2,24,26,28);4-5,8-13H,3,6-7H2,1-2H3,(H2,24,26,28);6-13H,3-5H2,1-2H3,(H2,24,26,28);5-14H,1-4H3,(H2,21,23,26)
InChIKeyGGSWPTQPBPAOQL-UHFFFAOYSA-N
XLogP19.04
TPSA547.72 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002219.55
LogP ≤ 519.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea?
The IUPAC name of 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea (CID 158251246) is 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea.
What is the SMILES notation for 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea?
The canonical SMILES for 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea is CC(C)c1cccc(-n2ccnc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)cc(F)c3c2CCC3)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)cc(F)cc2-c2cccnc2)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)ccc3ccccc23)n1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)n1.
What is the InChIKey of 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea?
The InChIKey is GGSWPTQPBPAOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3S.C22H21N5O3S.2C21H22FN5O3S.C19H24N6O3S/c1-15(2)30-10-7-21(28-30)34(32,33)29-23(31)27-22-19(16-5-3-8-25-13-16)11-18(24)12-20(22)17-6-4-9-26-14-17;1-15(2)27-13-11-20(25-27)31(29,30)26-22(28)24-21-18-8-4-3-6-16(18)9-10-19(21)17-7-5-12-23-14-17;1-13(2)27-10-8-19(25-27)31(29,30)26-21(28)24-20-16-7-3-6-15(16)18(22)11-17(20)14-5-4-9-23-12-14;1-13(2)27-11-8-19(25-27)31(29,30)26-21(28)24-20-16-5-3-4-15(16)18(22)12-17(20)14-6-9-23-10-7-14;1-13(2)15-6-5-7-16(24-11-9-20-12-24)18(15)21-19(26)23-29(27,28)17-8-10-25(22-17)14(3)4/h3-15H,1-2H3,(H2,27,29,31);3-15H,1-2H3,(H2,24,26,28);4-5,8-13H,3,6-7H2,1-2H3,(H2,24,26,28);6-13H,3-5H2,1-2H3,(H2,24,26,28);5-14H,1-4H3,(H2,21,23,26).
What are the key properties of 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea?
1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea has a molecular weight of 2219.55 g/mol, XLogP of 19.04, 27 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dipyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(2-imidazol-1-yl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-ylnaphthalen-1-yl)urea is sourced from PubChem (CID 158251246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).