2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one

C18H15F3N4O — CID 70983097

IUPAC2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one
SMILESO=C1N(c2ccnc(C(F)(F)F)c2)C2CC2N1c1cnccc1C1CC1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)16-7-11(3-6-23-16)24-13-8-14(13)25(17(24)26)15-9-22-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2
InChIKeyHHSNJLVYXKJDIO-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.96
Rot. Bonds3

About 2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one

2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one (PubChem CID 70983097) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one
PubChem CID70983097
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one
SMILESO=C1N(c2ccnc(C(F)(F)F)c2)C2CC2N1c1cnccc1C1CC1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)16-7-11(3-6-23-16)24-13-8-14(13)25(17(24)26)15-9-22-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2
InChIKeyHHSNJLVYXKJDIO-UHFFFAOYSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one?
The IUPAC name of 2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one (CID 70983097) is 2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for 2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for 2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one is O=C1N(c2ccnc(C(F)(F)F)c2)C2CC2N1c1cnccc1C1CC1.
What is the InChIKey of 2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one?
The InChIKey is HHSNJLVYXKJDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-18(20,21)16-7-11(3-6-23-16)24-13-8-14(13)25(17(24)26)15-9-22-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2.
What are the key properties of 2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one?
2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one has a molecular weight of 360.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 70983097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).