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

C24H23F3N6O — CID 67429815

IUPAC[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(6-methyl-4-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1cc(-c2ncccn2)cc(C(=O)c2c(N)nc(C3CC4CC4CN3)c(C(F)(F)F)c2C)n1
InChIInChI=1S/C24H23F3N6O/c1-11-6-14(23-29-4-3-5-30-23)9-17(32-11)21(34)18-12(2)19(24(25,26)27)20(33-22(18)28)16-8-13-7-15(13)10-31-16/h3-6,9,13,15-16,31H,7-8,10H2,1-2H3,(H2,28,33)
InChIKeyPEWLSNOCRFOXNZ-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.05
Rot. Bonds4

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

[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(6-methyl-4-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 67429815) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 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-4-pyrimidin-2-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-4-pyrimidin-2-yl-2-pyridinyl)methanone
PubChem CID67429815
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(6-methyl-4-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1cc(-c2ncccn2)cc(C(=O)c2c(N)nc(C3CC4CC4CN3)c(C(F)(F)F)c2C)n1
InChIInChI=1S/C24H23F3N6O/c1-11-6-14(23-29-4-3-5-30-23)9-17(32-11)21(34)18-12(2)19(24(25,26)27)20(33-22(18)28)16-8-13-7-15(13)10-31-16/h3-6,9,13,15-16,31H,7-8,10H2,1-2H3,(H2,28,33)
InChIKeyPEWLSNOCRFOXNZ-UHFFFAOYSA-N
XLogP4.05
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.05
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-4-pyrimidin-2-yl-2-pyridinyl)methanone with MolForge

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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-4-pyrimidin-2-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-4-pyrimidin-2-yl-2-pyridinyl)methanone (CID 67429815) is [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(6-methyl-4-pyrimidin-2-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-4-pyrimidin-2-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-4-pyrimidin-2-yl-2-pyridinyl)methanone is Cc1cc(-c2ncccn2)cc(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-4-pyrimidin-2-yl-2-pyridinyl)methanone?
The InChIKey is PEWLSNOCRFOXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-11-6-14(23-29-4-3-5-30-23)9-17(32-11)21(34)18-12(2)19(24(25,26)27)20(33-22(18)28)16-8-13-7-15(13)10-31-16/h3-6,9,13,15-16,31H,7-8,10H2,1-2H3,(H2,28,33).
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-4-pyrimidin-2-yl-2-pyridinyl)methanone?
[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(6-methyl-4-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 468.48 g/mol, XLogP of 4.05, 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-4-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 67429815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).