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

C24H27F3N4O3S — CID 76555597

IUPAC5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3c(cn2)OC(C2CCN(c4ccc(C(F)(F)F)cn4)CC2)C3)CC1
InChIInChI=1S/C24H27F3N4O3S/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/h2-3,6,12,14-15,17,21H,4-5,7-11,13H2,1H3
InChIKeySFYMRLRNKCSOTH-UHFFFAOYSA-N
MW508.57 g/mol
LogP3.76
Rot. Bonds4

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

5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 76555597) has the molecular formula C24H27F3N4O3S and a molecular weight of 508.57 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]-2,3-dihydrofuro[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]-2,3-dihydrofuro[2,3-c]pyridine
PubChem CID76555597
Molecular FormulaC24H27F3N4O3S
Molecular Weight508.57 g/mol
Exact Mass508.18
IUPAC Name5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3c(cn2)OC(C2CCN(c4ccc(C(F)(F)F)cn4)CC2)C3)CC1
InChIInChI=1S/C24H27F3N4O3S/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/h2-3,6,12,14-15,17,21H,4-5,7-11,13H2,1H3
InChIKeySFYMRLRNKCSOTH-UHFFFAOYSA-N
XLogP3.76
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 53.76
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]-2,3-dihydrofuro[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

(5-Ethoxy-4''-methyl-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11347767
2-[4-[5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 68211784
(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
(R)-2-[1-(5-Cyclopropyl-pyrimidin-2-yl)-piperidin-4-yl]-5-(1-methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2,3-dihydro-furo[2,3-c]pyridine
CID 71208637
(S)-5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2-methyl-2-[1-(5-trifluoromethyl-pyrimidin-2-yl)-piperidin-4-yl]-2,3-dihydro-furo[2,3-c]pyridine
CID 71208866
2-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
CID 71455832
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-[[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 71085889
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl
CID 86694582
3-(difluoromethoxy)-5-[2-[(3R)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine
CID 117688679
3-(Difluoromethoxy)-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine
CID 117688850
3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine
CID 117688859
N-(3-fluoro-5-morpholin-4-ylphenyl)-4-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
CID 134805718

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]-2,3-dihydrofuro[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]-2,3-dihydrofuro[2,3-c]pyridine (CID 76555597) is 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2,3-dihydrofuro[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]-2,3-dihydrofuro[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]-2,3-dihydrofuro[2,3-c]pyridine is CS(=O)(=O)N1CC=C(c2cc3c(cn2)OC(C2CCN(c4ccc(C(F)(F)F)cn4)CC2)C3)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]-2,3-dihydrofuro[2,3-c]pyridine?
The InChIKey is SFYMRLRNKCSOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3S/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/h2-3,6,12,14-15,17,21H,4-5,7-11,13H2,1H3.
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]-2,3-dihydrofuro[2,3-c]pyridine?
5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 508.57 g/mol, XLogP of 3.76, 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]-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 76555597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).