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

C24H25F3N4O3S — CID 24743798

IUPAC4-[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
InChIInChI=1S/C24H25F3N4O3S/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/h2-6,14-16H,7-13H2,1H3
InChIKeyMAGXBBDVCNSWTN-UHFFFAOYSA-N
MW506.55 g/mol
LogP3.85
Rot. Bonds4

About 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)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 24743798) has the molecular formula C24H25F3N4O3S and a molecular weight of 506.55 g/mol. Its IUPAC name is 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-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
PubChem CID24743798
Molecular FormulaC24H25F3N4O3S
Molecular Weight506.55 g/mol
Exact Mass506.16
IUPAC Name4-[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
InChIInChI=1S/C24H25F3N4O3S/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/h2-6,14-16H,7-13H2,1H3
InChIKeyMAGXBBDVCNSWTN-UHFFFAOYSA-N
XLogP3.85
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.55
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine (CID 24743798) is 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-[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-[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.
What is the InChIKey of 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
The InChIKey is MAGXBBDVCNSWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3S/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/h2-6,14-16H,7-13H2,1H3.
What are the key properties of 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)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 506.55 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 24743798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).