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

C23H28F3N3O3S — CID 86694583

IUPAC5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(CC5(C(F)(F)F)CC5)CC4)oc3cn2)CC1
InChIInChI=1S/C23H28F3N3O3S/c1-33(30,31)29-10-4-16(5-11-29)19-12-18-13-20(32-21(18)14-27-19)17-2-8-28(9-3-17)15-22(6-7-22)23(24,25)26/h4,12-14,17H,2-3,5-11,15H2,1H3
InChIKeyNNDGZPGSUHTBHN-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.40
Rot. Bonds5

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

5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine (PubChem CID 86694583) has the molecular formula C23H28F3N3O3S and a molecular weight of 483.56 g/mol. Its IUPAC name is 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine
PubChem CID86694583
Molecular FormulaC23H28F3N3O3S
Molecular Weight483.56 g/mol
Exact Mass483.18
IUPAC Name5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(CC5(C(F)(F)F)CC5)CC4)oc3cn2)CC1
InChIInChI=1S/C23H28F3N3O3S/c1-33(30,31)29-10-4-16(5-11-29)19-12-18-13-20(32-21(18)14-27-19)17-2-8-28(9-3-17)15-22(6-7-22)23(24,25)26/h4,12-14,17H,2-3,5-11,15H2,1H3
InChIKeyNNDGZPGSUHTBHN-UHFFFAOYSA-N
XLogP4.40
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine?
The IUPAC name of 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine (CID 86694583) is 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]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-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine?
The canonical SMILES for 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine is CS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(CC5(C(F)(F)F)CC5)CC4)oc3cn2)CC1.
What is the InChIKey of 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine?
The InChIKey is NNDGZPGSUHTBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3S/c1-33(30,31)29-10-4-16(5-11-29)19-12-18-13-20(32-21(18)14-27-19)17-2-8-28(9-3-17)15-22(6-7-22)23(24,25)26/h4,12-14,17H,2-3,5-11,15H2,1H3.
What are the key properties of 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine?
5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine has a molecular weight of 483.56 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]furo[2,3-c]pyridine is sourced from PubChem (CID 86694583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).