azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone

C22H27FN2O2 — CID 91925083

IUPACazepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone
SMILESCc1oc2c(c1C(=O)N1CCCCCC1)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C22H27FN2O2/c1-16-21(22(26)25-10-4-2-3-5-11-25)19-15-24(12-9-20(19)27-16)14-17-7-6-8-18(23)13-17/h6-8,13H,2-5,9-12,14-15H2,1H3
InChIKeyGTDXCVPFXOGLRV-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.30
Rot. Bonds3

About azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone

azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone (PubChem CID 91925083) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone
PubChem CID91925083
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Nameazepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone
SMILESCc1oc2c(c1C(=O)N1CCCCCC1)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C22H27FN2O2/c1-16-21(22(26)25-10-4-2-3-5-11-25)19-15-24(12-9-20(19)27-16)14-17-7-6-8-18(23)13-17/h6-8,13H,2-5,9-12,14-15H2,1H3
InChIKeyGTDXCVPFXOGLRV-UHFFFAOYSA-N
XLogP4.30
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone (CID 91925083) is azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone is Cc1oc2c(c1C(=O)N1CCCCCC1)CN(Cc1cccc(F)c1)CC2.
What is the InChIKey of azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone?
The InChIKey is GTDXCVPFXOGLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16-21(22(26)25-10-4-2-3-5-11-25)19-15-24(12-9-20(19)27-16)14-17-7-6-8-18(23)13-17/h6-8,13H,2-5,9-12,14-15H2,1H3.
What are the key properties of azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone?
azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone has a molecular weight of 370.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone is sourced from PubChem (CID 91925083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).