[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C20H18F3N7O — CID 147511580

IUPAC[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESO=C(c1ncccc1-n1nccn1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2
InChIInChI=1S/C20H18F3N7O/c21-20(22,23)17-11-25-13(10-26-17)8-12-9-14-3-4-15(12)29(14)19(31)18-16(2-1-5-24-18)30-27-6-7-28-30/h1-2,5-7,10-12,14-15H,3-4,8-9H2
InChIKeyFJKJKPXOPCQJDC-UHFFFAOYSA-N
MW429.41 g/mol
LogP2.71
Rot. Bonds4

About [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 147511580) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID147511580
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESO=C(c1ncccc1-n1nccn1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2
InChIInChI=1S/C20H18F3N7O/c21-20(22,23)17-11-25-13(10-26-17)8-12-9-14-3-4-15(12)29(14)19(31)18-16(2-1-5-24-18)30-27-6-7-28-30/h1-2,5-7,10-12,14-15H,3-4,8-9H2
InChIKeyFJKJKPXOPCQJDC-UHFFFAOYSA-N
XLogP2.71
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Related Compounds

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CID 57389400
N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]ethyl]benzamide
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N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389637
N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389884
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
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[6-Methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90445423
N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
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[2-[[3-(4-Fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
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[(2R,5S)-5-[2-(5-fluoro-2-pyridinyl)ethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
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[(2R,5S)-5-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90654340
[(2R,5S)-5-[(Z)-2-(5-fluoro-2-pyridinyl)ethenyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90654341

Frequently Asked Questions

What is the IUPAC name of [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 147511580) is [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is O=C(c1ncccc1-n1nccn1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.
What is the InChIKey of [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is FJKJKPXOPCQJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O/c21-20(22,23)17-11-25-13(10-26-17)8-12-9-14-3-4-15(12)29(14)19(31)18-16(2-1-5-24-18)30-27-6-7-28-30/h1-2,5-7,10-12,14-15H,3-4,8-9H2.
What are the key properties of [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 429.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 147511580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).