5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline

C119H125FN18O10S5 — CID 158421766

IUPAC5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline
SMILESCc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3c(N)nccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3nc(N)ccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3ccccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nncc3ccccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2F)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H24FN3O2S.2C24H26N4O2S.C24H25N3O2S.C23H24N4O2S/c1-16-13-18(28(27-16)22-9-5-8-21-19(22)7-6-12-26-21)15-31(29,30)23-11-10-17(14-20(23)25)24(2,3)4;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-26-23(21)25;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-23(25)26-21;1-17-15-19(16-30(28,29)20-11-9-18(10-12-20)24(2,3)4)27(26-17)23-13-14-25-22-8-6-5-7-21(22)23;1-16-13-19(15-30(28,29)20-11-9-18(10-12-20)23(2,3)4)27(26-16)22-21-8-6-5-7-17(21)14-24-25-22/h5-14H,15H2,1-4H3;2*5-14H,15H2,1-4H3,(H2,25,26);5-15H,16H2,1-4H3;5-14H,15H2,1-4H3
InChIKeyHAONNGFFXZANMP-UHFFFAOYSA-N
MW2146.76 g/mol
LogP23.70
Rot. Bonds20

About 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline

5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline (PubChem CID 158421766) has the molecular formula C119H125FN18O10S5 and a molecular weight of 2146.76 g/mol. Its IUPAC name is 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline.

Molecular Properties

Compound Name5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline
PubChem CID158421766
Molecular FormulaC119H125FN18O10S5
Molecular Weight2146.76 g/mol
Exact Mass2144.84
IUPAC Name5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline
SMILESCc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3c(N)nccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3nc(N)ccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3ccccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nncc3ccccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2F)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H24FN3O2S.2C24H26N4O2S.C24H25N3O2S.C23H24N4O2S/c1-16-13-18(28(27-16)22-9-5-8-21-19(22)7-6-12-26-21)15-31(29,30)23-11-10-17(14-20(23)25)24(2,3)4;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-26-23(21)25;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-23(25)26-21;1-17-15-19(16-30(28,29)20-11-9-18(10-12-20)24(2,3)4)27(26-17)23-13-14-25-22-8-6-5-7-21(22)23;1-16-13-19(15-30(28,29)20-11-9-18(10-12-20)23(2,3)4)27(26-16)22-21-8-6-5-7-17(21)14-24-25-22/h5-14H,15H2,1-4H3;2*5-14H,15H2,1-4H3,(H2,25,26);5-15H,16H2,1-4H3;5-14H,15H2,1-4H3
InChIKeyHAONNGFFXZANMP-UHFFFAOYSA-N
XLogP23.70
TPSA389.18 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.76
LogP ≤ 523.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline?
The IUPAC name of 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline (CID 158421766) is 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline.
What is the SMILES notation for 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline?
The canonical SMILES for 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline is Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3c(N)nccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3nc(N)ccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3ccccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nncc3ccccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2F)n(-c2cccc3ncccc23)n1.
What is the InChIKey of 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline?
The InChIKey is HAONNGFFXZANMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2S.2C24H26N4O2S.C24H25N3O2S.C23H24N4O2S/c1-16-13-18(28(27-16)22-9-5-8-21-19(22)7-6-12-26-21)15-31(29,30)23-11-10-17(14-20(23)25)24(2,3)4;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-26-23(21)25;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-23(25)26-21;1-17-15-19(16-30(28,29)20-11-9-18(10-12-20)24(2,3)4)27(26-17)23-13-14-25-22-8-6-5-7-21(22)23;1-16-13-19(15-30(28,29)20-11-9-18(10-12-20)23(2,3)4)27(26-16)22-21-8-6-5-7-17(21)14-24-25-22/h5-14H,15H2,1-4H3;2*5-14H,15H2,1-4H3,(H2,25,26);5-15H,16H2,1-4H3;5-14H,15H2,1-4H3.
What are the key properties of 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline?
5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline has a molecular weight of 2146.76 g/mol, XLogP of 23.70, 20 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]phthalazine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline is sourced from PubChem (CID 158421766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).