(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

C25H24F3N5O — CID 57414484

About (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (PubChem CID 57414484) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
• PubChem CID: 57414484
• Molecular Formula: C25H24F3N5O
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.19
• IUPAC Name: (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
• SMILES: Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CCc2cc(C(F)(F)F)ccn2)n1
• InChI: InChI=1S/C25H24F3N5O/c1-15-3-6-21(23-30-8-2-9-31-23)22(32-15)24(34)33-14-17-11-16(17)12-20(33)5-4-19-13-18(7-10-29-19)25(26,27)28/h2-3,6-10,13,16-17,20H,4-5,11-12,14H2,1H3/t16-,17+,20-/m1/s1
• InChIKey: UGTSDHBZOQYSRM-FUHIMQAGSA-N
• XLogP: 4.74
• TPSA: 71.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.50
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?

The IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (CID 57414484) is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

What is the SMILES notation for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?

The canonical SMILES for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CCc2cc(C(F)(F)F)ccn2)n1.

What is the InChIKey of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?

The InChIKey is UGTSDHBZOQYSRM-FUHIMQAGSA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-15-3-6-21(23-30-8-2-9-31-23)22(32-15)24(34)33-14-17-11-16(17)12-20(33)5-4-19-13-18(7-10-29-19)25(26,27)28/h2-3,6-10,13,16-17,20H,4-5,11-12,14H2,1H3/t16-,17+,20-/m1/s1.

What are the key properties of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone has a molecular weight of 467.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is sourced from PubChem (CID 57414484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).