[2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C65H65F3N16O4 — CID 157450349

IUPAC[2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCOc1ccc(CC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1.Cc1ccc(CC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Cc1ccc(C(F)(F)F)nn1)C2
InChIInChI=1S/C22H23N5O2.C22H23N5O.C21H19F3N6O/c1-29-18-8-6-16(23-14-18)12-15-13-17-7-9-20(15)26(17)22(28)19-4-2-3-5-21(19)27-24-10-11-25-27;1-15-6-7-17(23-14-15)12-16-13-18-8-9-20(16)26(18)22(28)19-4-2-3-5-21(19)27-24-10-11-25-27;22-21(23,24)19-8-5-14(27-28-19)11-13-12-15-6-7-17(13)29(15)20(31)16-3-1-2-4-18(16)30-25-9-10-26-30/h2-6,8,10-11,14-15,17,20H,7,9,12-13H2,1H3;2-7,10-11,14,16,18,20H,8-9,12-13H2,1H3;1-5,8-10,13,15,17H,6-7,11-12H2
InChIKeyBSSMRRFOOIRKMG-UHFFFAOYSA-N
MW1191.34 g/mol
LogP9.43
Rot. Bonds13

About [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 157450349) has the molecular formula C65H65F3N16O4 and a molecular weight of 1191.34 g/mol. Its IUPAC name is [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID157450349
Molecular FormulaC65H65F3N16O4
Molecular Weight1191.34 g/mol
Exact Mass1190.53
IUPAC Name[2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCOc1ccc(CC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1.Cc1ccc(CC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Cc1ccc(C(F)(F)F)nn1)C2
InChIInChI=1S/C22H23N5O2.C22H23N5O.C21H19F3N6O/c1-29-18-8-6-16(23-14-18)12-15-13-17-7-9-20(15)26(17)22(28)19-4-2-3-5-21(19)27-24-10-11-25-27;1-15-6-7-17(23-14-15)12-16-13-18-8-9-20(16)26(18)22(28)19-4-2-3-5-21(19)27-24-10-11-25-27;22-21(23,24)19-8-5-14(27-28-19)11-13-12-15-6-7-17(13)29(15)20(31)16-3-1-2-4-18(16)30-25-9-10-26-30/h2-6,8,10-11,14-15,17,20H,7,9,12-13H2,1H3;2-7,10-11,14,16,18,20H,8-9,12-13H2,1H3;1-5,8-10,13,15,17H,6-7,11-12H2
InChIKeyBSSMRRFOOIRKMG-UHFFFAOYSA-N
XLogP9.43
TPSA213.85 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms88
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001191.34
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 157450349) is [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is COc1ccc(CC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1.Cc1ccc(CC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Cc1ccc(C(F)(F)F)nn1)C2.
What is the InChIKey of [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is BSSMRRFOOIRKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.C22H23N5O.C21H19F3N6O/c1-29-18-8-6-16(23-14-18)12-15-13-17-7-9-20(15)26(17)22(28)19-4-2-3-5-21(19)27-24-10-11-25-27;1-15-6-7-17(23-14-15)12-16-13-18-8-9-20(16)26(18)22(28)19-4-2-3-5-21(19)27-24-10-11-25-27;22-21(23,24)19-8-5-14(27-28-19)11-13-12-15-6-7-17(13)29(15)20(31)16-3-1-2-4-18(16)30-25-9-10-26-30/h2-6,8,10-11,14-15,17,20H,7,9,12-13H2,1H3;2-7,10-11,14,16,18,20H,8-9,12-13H2,1H3;1-5,8-10,13,15,17H,6-7,11-12H2.
What are the key properties of [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1191.34 g/mol, XLogP of 9.43, 13 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 157450349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).