[2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C24H25F2N5O2 — CID 118880120

IUPAC[2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C(C)(F)F)n2)C3)c1
InChIInChI=1S/C24H25F2N5O2/c1-15-6-8-20(31-27-10-11-28-31)18(12-15)23(32)30-17-7-9-19(30)16(13-17)14-33-22-5-3-4-21(29-22)24(2,25)26/h3-6,8,10-12,16-17,19H,7,9,13-14H2,1-2H3
InChIKeyDMQTYPKWXMPLEG-UHFFFAOYSA-N
MW453.49 g/mol
LogP4.15
Rot. Bonds6

About [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 118880120) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID118880120
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC Name[2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C(C)(F)F)n2)C3)c1
InChIInChI=1S/C24H25F2N5O2/c1-15-6-8-20(31-27-10-11-28-31)18(12-15)23(32)30-17-7-9-19(30)16(13-17)14-33-22-5-3-4-21(29-22)24(2,25)26/h3-6,8,10-12,16-17,19H,7,9,13-14H2,1-2H3
InChIKeyDMQTYPKWXMPLEG-UHFFFAOYSA-N
XLogP4.15
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 118880120) is [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C(C)(F)F)n2)C3)c1.
What is the InChIKey of [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is DMQTYPKWXMPLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-15-6-8-20(31-27-10-11-28-31)18(12-15)23(32)30-17-7-9-19(30)16(13-17)14-33-22-5-3-4-21(29-22)24(2,25)26/h3-6,8,10-12,16-17,19H,7,9,13-14H2,1-2H3.
What are the key properties of [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 453.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118880120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).