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

C21H24F3N5O3S2 — CID 71208464

IUPAC5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3c(cn2)OC(C2CCN(c4nnc(C(F)(F)F)s4)CC2)C3)CC1
InChIInChI=1S/C21H24F3N5O3S2/c1-34(30,31)29-8-4-13(5-9-29)16-10-15-11-17(32-18(15)12-25-16)14-2-6-28(7-3-14)20-27-26-19(33-20)21(22,23)24/h4,10,12,14,17H,2-3,5-9,11H2,1H3
InChIKeyUVZPJBNWIYXDMW-UHFFFAOYSA-N
MW515.58 g/mol
LogP3.22
Rot. Bonds4

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

5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 71208464) has the molecular formula C21H24F3N5O3S2 and a molecular weight of 515.58 g/mol. Its IUPAC name is 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]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)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
PubChem CID71208464
Molecular FormulaC21H24F3N5O3S2
Molecular Weight515.58 g/mol
Exact Mass515.13
IUPAC Name5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3c(cn2)OC(C2CCN(c4nnc(C(F)(F)F)s4)CC2)C3)CC1
InChIInChI=1S/C21H24F3N5O3S2/c1-34(30,31)29-8-4-13(5-9-29)16-10-15-11-17(32-18(15)12-25-16)14-2-6-28(7-3-14)20-27-26-19(33-20)21(22,23)24/h4,10,12,14,17H,2-3,5-9,11H2,1H3
InChIKeyUVZPJBNWIYXDMW-UHFFFAOYSA-N
XLogP3.22
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.58
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]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)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine (CID 71208464) is 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]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)-1,3,4-thiadiazol-2-yl]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)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine is CS(=O)(=O)N1CC=C(c2cc3c(cn2)OC(C2CCN(c4nnc(C(F)(F)F)s4)CC2)C3)CC1.
What is the InChIKey of 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?
The InChIKey is UVZPJBNWIYXDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O3S2/c1-34(30,31)29-8-4-13(5-9-29)16-10-15-11-17(32-18(15)12-25-16)14-2-6-28(7-3-14)20-27-26-19(33-20)21(22,23)24/h4,10,12,14,17H,2-3,5-9,11H2,1H3.
What are the key properties of 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?
5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 515.58 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 71208464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).