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

C25H25F3N6O — CID 67427249

IUPAC[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2ccnc(C)n2)c(C(=O)c2c(N)nc(C3CC4CC4CN3)c(C(F)(F)F)c2C)n1
InChIInChI=1S/C25H25F3N6O/c1-11-4-5-16(17-6-7-30-13(3)33-17)21(32-11)23(35)19-12(2)20(25(26,27)28)22(34-24(19)29)18-9-14-8-15(14)10-31-18/h4-7,14-15,18,31H,8-10H2,1-3H3,(H2,29,34)
InChIKeyMTKLVVPUICLGHM-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.36
Rot. Bonds4

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

[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone (PubChem CID 67427249) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone
PubChem CID67427249
Molecular FormulaC25H25F3N6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2ccnc(C)n2)c(C(=O)c2c(N)nc(C3CC4CC4CN3)c(C(F)(F)F)c2C)n1
InChIInChI=1S/C25H25F3N6O/c1-11-4-5-16(17-6-7-30-13(3)33-17)21(32-11)23(35)19-12(2)20(25(26,27)28)22(34-24(19)29)18-9-14-8-15(14)10-31-18/h4-7,14-15,18,31H,8-10H2,1-3H3,(H2,29,34)
InChIKeyMTKLVVPUICLGHM-UHFFFAOYSA-N
XLogP4.36
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]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 [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone (CID 67427249) is [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone is Cc1ccc(-c2ccnc(C)n2)c(C(=O)c2c(N)nc(C3CC4CC4CN3)c(C(F)(F)F)c2C)n1.
What is the InChIKey of [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone?
The InChIKey is MTKLVVPUICLGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O/c1-11-4-5-16(17-6-7-30-13(3)33-17)21(32-11)23(35)19-12(2)20(25(26,27)28)22(34-24(19)29)18-9-14-8-15(14)10-31-18/h4-7,14-15,18,31H,8-10H2,1-3H3,(H2,29,34).
What are the key properties of [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone?
[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone has a molecular weight of 482.51 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-[6-methyl-3-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 67427249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).