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

C23H26F3N5O3S — CID 71208020

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

(2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 71208020) has the molecular formula C23H26F3N5O3S and a molecular weight of 509.55 g/mol. Its IUPAC name is (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
• PubChem CID: 71208020
• Molecular Formula: C23H26F3N5O3S
• Molecular Weight: 509.55 g/mol
• Exact Mass: 509.17
• IUPAC Name: (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
• SMILES: CS(=O)(=O)N1CC=C(c2cc3c(cn2)O[C@@H](C2CCN(c4ncc(C(F)(F)F)cn4)CC2)C3)CC1
• InChI: InChI=1S/C23H26F3N5O3S/c1-35(32,33)31-8-4-15(5-9-31)19-10-17-11-20(34-21(17)14-27-19)16-2-6-30(7-3-16)22-28-12-18(13-29-22)23(24,25)26/h4,10,12-14,16,20H,2-3,5-9,11H2,1H3/t20-/m1/s1
• InChIKey: UVGSWABEFQWPBN-HXUWFJFHSA-N
• XLogP: 3.16
• TPSA: 88.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.55
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?

The IUPAC name of (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine (CID 71208020) is (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine.

What is the SMILES notation for (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?

The canonical SMILES for (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine is CS(=O)(=O)N1CC=C(c2cc3c(cn2)O[C@@H](C2CCN(c4ncc(C(F)(F)F)cn4)CC2)C3)CC1.

What is the InChIKey of (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?

The InChIKey is UVGSWABEFQWPBN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26F3N5O3S/c1-35(32,33)31-8-4-15(5-9-31)19-10-17-11-20(34-21(17)14-27-19)16-2-6-30(7-3-16)22-28-12-18(13-29-22)23(24,25)26/h4,10,12-14,16,20H,2-3,5-9,11H2,1H3/t20-/m1/s1.

What are the key properties of (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?

(2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 509.55 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 71208020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).