5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine

C24H25F3N4O3S — CID 86694582

IUPAC5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(c5ccc(C(F)(F)F)cn5)CC4)oc3cn2)CC1
InChIInChI=1S/C24H25F3N4O3S/c1-35(32,33)31-10-6-16(7-11-31)20-12-18-13-21(34-22(18)15-28-20)17-4-8-30(9-5-17)23-3-2-19(14-29-23)24(25,26)27/h2-3,6,12-15,17H,4-5,7-11H2,1H3
InChIKeyNAMAXIGOTFPJHE-UHFFFAOYSA-N
MW506.55 g/mol
LogP4.67
Rot. Bonds4

About 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine

5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine (PubChem CID 86694582) has the molecular formula C24H25F3N4O3S and a molecular weight of 506.55 g/mol. Its IUPAC name is 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine
PubChem CID86694582
Molecular FormulaC24H25F3N4O3S
Molecular Weight506.55 g/mol
Exact Mass506.16
IUPAC Name5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(c5ccc(C(F)(F)F)cn5)CC4)oc3cn2)CC1
InChIInChI=1S/C24H25F3N4O3S/c1-35(32,33)31-10-6-16(7-11-31)20-12-18-13-21(34-22(18)15-28-20)17-4-8-30(9-5-17)23-3-2-19(14-29-23)24(25,26)27/h2-3,6,12-15,17H,4-5,7-11H2,1H3
InChIKeyNAMAXIGOTFPJHE-UHFFFAOYSA-N
XLogP4.67
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.55
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

Jak2-IN-4
CID 76072368
7-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]furo[2,3-d]pyridazine
CID 44186185
(2R)-2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
CID 71208589
5-methyl-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-phenylpyrimidin-2-amine
CID 72201823
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 72201958
N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 72202092
N-(4-fluorophenyl)-5-methyl-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 72202095
4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 72202097
4-[2-Morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine
CID 45487716
3-(6-Morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol
CID 134142825
5-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 155522970
4-Benzyl-7-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]furo[2,3-d]pyridazine
CID 44186485

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine?
The IUPAC name of 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine (CID 86694582) is 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine.
What is the SMILES notation for 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine?
The canonical SMILES for 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine is CS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(c5ccc(C(F)(F)F)cn5)CC4)oc3cn2)CC1.
What is the InChIKey of 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine?
The InChIKey is NAMAXIGOTFPJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3S/c1-35(32,33)31-10-6-16(7-11-31)20-12-18-13-21(34-22(18)15-28-20)17-4-8-30(9-5-17)23-3-2-19(14-29-23)24(25,26)27/h2-3,6,12-15,17H,4-5,7-11H2,1H3.
What are the key properties of 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine?
5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine has a molecular weight of 506.55 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]furo[2,3-c]pyridine is sourced from PubChem (CID 86694582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).