1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

C60H68F4N12O6S3 — CID 158876147

IUPAC1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCCn1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cn1.CCn1ncc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)c1C.CCn1ncc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c1C
InChIInChI=1S/C21H23F3N4O2S.C20H23FN4O2S.C19H22N4O2S/c1-4-27-14(2)20(12-25-27)31(29,30)28-13-18(15-7-9-26(3)10-8-15)17-11-16(21(22,23)24)5-6-19(17)28;1-4-24-14(2)20(12-22-24)28(26,27)25-13-18(15-7-9-23(3)10-8-15)17-11-16(21)5-6-19(17)25;1-3-22-13-16(12-20-22)26(24,25)23-14-18(15-8-10-21(2)11-9-15)17-6-4-5-7-19(17)23/h5-7,11-13H,4,8-10H2,1-3H3;5-7,11-13H,4,8-10H2,1-3H3;4-8,12-14H,3,9-11H2,1-2H3
InChIKeyJCLNENSISAYXKD-UHFFFAOYSA-N
MW1225.47 g/mol
LogP10.22
Rot. Bonds12

About 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (PubChem CID 158876147) has the molecular formula C60H68F4N12O6S3 and a molecular weight of 1225.47 g/mol. Its IUPAC name is 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.

Molecular Properties

Compound Name1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
PubChem CID158876147
Molecular FormulaC60H68F4N12O6S3
Molecular Weight1225.47 g/mol
Exact Mass1224.45
IUPAC Name1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCCn1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cn1.CCn1ncc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)c1C.CCn1ncc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c1C
InChIInChI=1S/C21H23F3N4O2S.C20H23FN4O2S.C19H22N4O2S/c1-4-27-14(2)20(12-25-27)31(29,30)28-13-18(15-7-9-26(3)10-8-15)17-11-16(21(22,23)24)5-6-19(17)28;1-4-24-14(2)20(12-22-24)28(26,27)25-13-18(15-7-9-23(3)10-8-15)17-11-16(21)5-6-19(17)25;1-3-22-13-16(12-20-22)26(24,25)23-14-18(15-8-10-21(2)11-9-15)17-6-4-5-7-19(17)23/h5-7,11-13H,4,8-10H2,1-3H3;5-7,11-13H,4,8-10H2,1-3H3;4-8,12-14H,3,9-11H2,1-2H3
InChIKeyJCLNENSISAYXKD-UHFFFAOYSA-N
XLogP10.22
TPSA180.39 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.47
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (CID 158876147) is 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.
What is the SMILES notation for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The canonical SMILES for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is CCn1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cn1.CCn1ncc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)c1C.CCn1ncc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c1C.
What is the InChIKey of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The InChIKey is JCLNENSISAYXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2S.C20H23FN4O2S.C19H22N4O2S/c1-4-27-14(2)20(12-25-27)31(29,30)28-13-18(15-7-9-26(3)10-8-15)17-11-16(21(22,23)24)5-6-19(17)28;1-4-24-14(2)20(12-22-24)28(26,27)25-13-18(15-7-9-23(3)10-8-15)17-11-16(21)5-6-19(17)25;1-3-22-13-16(12-20-22)26(24,25)23-14-18(15-8-10-21(2)11-9-15)17-6-4-5-7-19(17)23/h5-7,11-13H,4,8-10H2,1-3H3;5-7,11-13H,4,8-10H2,1-3H3;4-8,12-14H,3,9-11H2,1-2H3.
What are the key properties of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole has a molecular weight of 1225.47 g/mol, XLogP of 10.22, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is sourced from PubChem (CID 158876147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).