(5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

C24H23F3N6O — CID 75152437

About (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

(5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (PubChem CID 75152437) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
• PubChem CID: 75152437
• Molecular Formula: C24H23F3N6O
• Molecular Weight: 468.48 g/mol
• Exact Mass: 468.19
• IUPAC Name: (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CC3CC3CC2CNc2ccc(C(F)(F)F)cn2)nc1-c1ncccn1
• InChI: InChI=1S/C24H23F3N6O/c1-14-3-5-19(32-21(14)22-28-7-2-8-29-22)23(34)33-13-16-9-15(16)10-18(33)12-31-20-6-4-17(11-30-20)24(25,26)27/h2-8,11,15-16,18H,9-10,12-13H2,1H3,(H,30,31)
• InChIKey: NPQMIQONKPVHAF-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.48
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?

The IUPAC name of (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (CID 75152437) is (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

What is the SMILES notation for (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?

The canonical SMILES for (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is Cc1ccc(C(=O)N2CC3CC3CC2CNc2ccc(C(F)(F)F)cn2)nc1-c1ncccn1.

What is the InChIKey of (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?

The InChIKey is NPQMIQONKPVHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-14-3-5-19(32-21(14)22-28-7-2-8-29-22)23(34)33-13-16-9-15(16)10-18(33)12-31-20-6-4-17(11-30-20)24(25,26)27/h2-8,11,15-16,18H,9-10,12-13H2,1H3,(H,30,31).

What are the key properties of (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?

(5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone has a molecular weight of 468.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is sourced from PubChem (CID 75152437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).