1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

C27H27F3N4O2 — CID 67306494

IUPAC1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
SMILESO=C(CN1CC2CCC(C1)N2c1ccc(C(F)(F)F)cn1)N1CCc2cc(-c3ccccc3)oc2C1
InChIInChI=1S/C27H27F3N4O2/c28-27(29,30)20-6-9-25(31-13-20)34-21-7-8-22(34)15-32(14-21)17-26(35)33-11-10-19-12-23(36-24(19)16-33)18-4-2-1-3-5-18/h1-6,9,12-13,21-22H,7-8,10-11,14-17H2
InChIKeyISRZVXCBKLXLJT-UHFFFAOYSA-N
MW496.53 g/mol
LogP4.60
Rot. Bonds4

About 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (PubChem CID 67306494) has the molecular formula C27H27F3N4O2 and a molecular weight of 496.53 g/mol. Its IUPAC name is 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.

Molecular Properties

Compound Name1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
PubChem CID67306494
Molecular FormulaC27H27F3N4O2
Molecular Weight496.53 g/mol
Exact Mass496.21
IUPAC Name1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
SMILESO=C(CN1CC2CCC(C1)N2c1ccc(C(F)(F)F)cn1)N1CCc2cc(-c3ccccc3)oc2C1
InChIInChI=1S/C27H27F3N4O2/c28-27(29,30)20-6-9-25(31-13-20)34-21-7-8-22(34)15-32(14-21)17-26(35)33-11-10-19-12-23(36-24(19)16-33)18-4-2-1-3-5-18/h1-6,9,12-13,21-22H,7-8,10-11,14-17H2
InChIKeyISRZVXCBKLXLJT-UHFFFAOYSA-N
XLogP4.60
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The IUPAC name of 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (CID 67306494) is 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.
What is the SMILES notation for 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The canonical SMILES for 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is O=C(CN1CC2CCC(C1)N2c1ccc(C(F)(F)F)cn1)N1CCc2cc(-c3ccccc3)oc2C1.
What is the InChIKey of 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The InChIKey is ISRZVXCBKLXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O2/c28-27(29,30)20-6-9-25(31-13-20)34-21-7-8-22(34)15-32(14-21)17-26(35)33-11-10-19-12-23(36-24(19)16-33)18-4-2-1-3-5-18/h1-6,9,12-13,21-22H,7-8,10-11,14-17H2.
What are the key properties of 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone has a molecular weight of 496.53 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is sourced from PubChem (CID 67306494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).