(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one

C36H30F6N8O2 — CID 157126607

IUPAC(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(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)[C@@H]2C[C@@H]2N1c1cnccc1C1CC1.O=C1N(c2cnccc2C2CC2)[C@@H]2C[C@@H]2N1c1ccnc(C(F)(F)F)c1
InChIInChI=1S/2C18H15F3N4O/c2*19-18(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/h2*3-7,9-10,13-14H,1-2,8H2/t2*13-,14+/m10/s1
InChIKeyAIOPZDVHZAWOQX-DZYJZKBLSA-N
MW720.68 g/mol
LogP7.92
Rot. Bonds6

About (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one

(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one (PubChem CID 157126607) has the molecular formula C36H30F6N8O2 and a molecular weight of 720.68 g/mol. Its IUPAC name is (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one
PubChem CID157126607
Molecular FormulaC36H30F6N8O2
Molecular Weight720.68 g/mol
Exact Mass720.24
IUPAC Name(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(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)[C@@H]2C[C@@H]2N1c1cnccc1C1CC1.O=C1N(c2cnccc2C2CC2)[C@@H]2C[C@@H]2N1c1ccnc(C(F)(F)F)c1
InChIInChI=1S/2C18H15F3N4O/c2*19-18(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/h2*3-7,9-10,13-14H,1-2,8H2/t2*13-,14+/m10/s1
InChIKeyAIOPZDVHZAWOQX-DZYJZKBLSA-N
XLogP7.92
TPSA98.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.68
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 122522924
1-(4-Cyclopropylpyridin-3-yl)-3-(2-(trifluoromethyl) pyridin-4-yl)imidazolidin-2-one
CID 66576411
1-(2-Cyclopropyl-6-(trifluoromethyl) pyridin-4-yl)-3-(4-cyclopropylpyridin-3-yl)imidazolidin-2-one
CID 66576896
1-[2,6-Bis(trifluoromethyl)pyridin-4-yl]-3-(4-cyclopropylpyridin-3-yl)imidazolidin-2-one
CID 66576897
US9029399, 32A-II
CID 66576898
(1S,5R)-2-(4-cyclopropylpyridin-3-yl)-4-[2-(trifluoromethyl)pyridin-4-yl]-2,4-diazabicyclo[3.1.0]hexan-3-one
CID 66576973
1-Cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 57383954
2-(4-Cyclopropylpyridin-3-yl)-4-[2-(trifluoromethyl)pyridin-4-yl]-2,4-diazabicyclo[3.1.0]hexan-3-one
CID 70983097
3-(4-Cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one
CID 90332290
1-(4-Cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one
CID 90335505
(1S,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one
CID 118053889
1-Cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 122522803

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one (CID 157126607) is (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-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 (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-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)[C@@H]2C[C@@H]2N1c1cnccc1C1CC1.O=C1N(c2cnccc2C2CC2)[C@@H]2C[C@@H]2N1c1ccnc(C(F)(F)F)c1.
What is the InChIKey of (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one?
The InChIKey is AIOPZDVHZAWOQX-DZYJZKBLSA-N. The full InChI is InChI=1S/2C18H15F3N4O/c2*19-18(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/h2*3-7,9-10,13-14H,1-2,8H2/t2*13-,14+/m10/s1.
What are the key properties of (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one?
(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one has a molecular weight of 720.68 g/mol, XLogP of 7.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 157126607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).