[3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone

C15H16F3N7O — CID 167898987

IUPAC[3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone
SMILESCn1cc(-n2cncc2C(=O)N2CCC(C3(C(F)(F)F)N=N3)CC2)cn1
InChIInChI=1S/C15H16F3N7O/c1-23-8-11(6-20-23)25-9-19-7-12(25)13(26)24-4-2-10(3-5-24)14(21-22-14)15(16,17)18/h6-10H,2-5H2,1H3
InChIKeyAKDUSFUOSBHFFF-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.18
Rot. Bonds3

About [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone

[3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone (PubChem CID 167898987) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone
PubChem CID167898987
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC Name[3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone
SMILESCn1cc(-n2cncc2C(=O)N2CCC(C3(C(F)(F)F)N=N3)CC2)cn1
InChIInChI=1S/C15H16F3N7O/c1-23-8-11(6-20-23)25-9-19-7-12(25)13(26)24-4-2-10(3-5-24)14(21-22-14)15(16,17)18/h6-10H,2-5H2,1H3
InChIKeyAKDUSFUOSBHFFF-UHFFFAOYSA-N
XLogP2.18
TPSA80.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-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

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone (CID 167898987) is [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone is Cn1cc(-n2cncc2C(=O)N2CCC(C3(C(F)(F)F)N=N3)CC2)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone?
The InChIKey is AKDUSFUOSBHFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7O/c1-23-8-11(6-20-23)25-9-19-7-12(25)13(26)24-4-2-10(3-5-24)14(21-22-14)15(16,17)18/h6-10H,2-5H2,1H3.
What are the key properties of [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone?
[3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone has a molecular weight of 367.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 167898987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).