4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine

C70H76F4N12O9S3 — CID 159055857

IUPAC4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccccc23)CC1
InChIInChI=1S/C24H25F3N4O3S.C23H25FN4O3S.C23H26N4O3S/c1-29-8-6-17(7-9-29)21-16-31(22-4-2-18(14-20(21)22)24(25,26)27)35(32,33)19-3-5-23(28-15-19)30-10-12-34-13-11-30;1-26-8-6-17(7-9-26)21-16-28(22-4-2-18(24)14-20(21)22)32(29,30)19-3-5-23(25-15-19)27-10-12-31-13-11-27;1-25-10-8-18(9-11-25)21-17-27(22-5-3-2-4-20(21)22)31(28,29)19-6-7-23(24-16-19)26-12-14-30-15-13-26/h2-6,14-16H,7-13H2,1H3;2-6,14-16H,7-13H2,1H3;2-8,16-17H,9-15H2,1H3
InChIKeyJXVSKUJRXQRQII-UHFFFAOYSA-N
MW1401.65 g/mol
LogP9.64
Rot. Bonds12

About 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine

4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine (PubChem CID 159055857) has the molecular formula C70H76F4N12O9S3 and a molecular weight of 1401.65 g/mol. Its IUPAC name is 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
PubChem CID159055857
Molecular FormulaC70H76F4N12O9S3
Molecular Weight1401.65 g/mol
Exact Mass1400.50
IUPAC Name4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccccc23)CC1
InChIInChI=1S/C24H25F3N4O3S.C23H25FN4O3S.C23H26N4O3S/c1-29-8-6-17(7-9-29)21-16-31(22-4-2-18(14-20(21)22)24(25,26)27)35(32,33)19-3-5-23(28-15-19)30-10-12-34-13-11-30;1-26-8-6-17(7-9-26)21-16-28(22-4-2-18(24)14-20(21)22)32(29,30)19-3-5-23(25-15-19)27-10-12-31-13-11-27;1-25-10-8-18(9-11-25)21-17-27(22-5-3-2-4-20(21)22)31(28,29)19-6-7-23(24-16-19)26-12-14-30-15-13-26/h2-6,14-16H,7-13H2,1H3;2-6,14-16H,7-13H2,1H3;2-8,16-17H,9-15H2,1H3
InChIKeyJXVSKUJRXQRQII-UHFFFAOYSA-N
XLogP9.64
TPSA203.01 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.65
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine (CID 159055857) is 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine is CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccccc23)CC1.
What is the InChIKey of 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
The InChIKey is JXVSKUJRXQRQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3S.C23H25FN4O3S.C23H26N4O3S/c1-29-8-6-17(7-9-29)21-16-31(22-4-2-18(14-20(21)22)24(25,26)27)35(32,33)19-3-5-23(28-15-19)30-10-12-34-13-11-30;1-26-8-6-17(7-9-26)21-16-28(22-4-2-18(24)14-20(21)22)32(29,30)19-3-5-23(25-15-19)27-10-12-31-13-11-27;1-25-10-8-18(9-11-25)21-17-27(22-5-3-2-4-20(21)22)31(28,29)19-6-7-23(24-16-19)26-12-14-30-15-13-26/h2-6,14-16H,7-13H2,1H3;2-6,14-16H,7-13H2,1H3;2-8,16-17H,9-15H2,1H3.
What are the key properties of 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine has a molecular weight of 1401.65 g/mol, XLogP of 9.64, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine is sourced from PubChem (CID 159055857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).