2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine

C23H25F3N6O — CID 157045729

IUPAC2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine
SMILESCc1ccccn1.Cc1cnc2c(C34CC(C(F)(F)F)(C3)C4)nc(N3CCOCC3)nc2n1
InChIInChI=1S/C17H18F3N5O.C6H7N/c1-10-6-21-11-12(15-7-16(8-15,9-15)17(18,19)20)23-14(24-13(11)22-10)25-2-4-26-5-3-25;1-6-4-2-3-5-7-6/h6H,2-5,7-9H2,1H3;2-5H,1H3
InChIKeyVUKPUDLRHNZEJA-UHFFFAOYSA-N
MW458.49 g/mol
LogP3.94
Rot. Bonds2

About 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine

2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine (PubChem CID 157045729) has the molecular formula C23H25F3N6O and a molecular weight of 458.49 g/mol. Its IUPAC name is 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine.

Molecular Properties

Compound Name2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine
PubChem CID157045729
Molecular FormulaC23H25F3N6O
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC Name2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine
SMILESCc1ccccn1.Cc1cnc2c(C34CC(C(F)(F)F)(C3)C4)nc(N3CCOCC3)nc2n1
InChIInChI=1S/C17H18F3N5O.C6H7N/c1-10-6-21-11-12(15-7-16(8-15,9-15)17(18,19)20)23-14(24-13(11)22-10)25-2-4-26-5-3-25;1-6-4-2-3-5-7-6/h6H,2-5,7-9H2,1H3;2-5H,1H3
InChIKeyVUKPUDLRHNZEJA-UHFFFAOYSA-N
XLogP3.94
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine with MolForge

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Related Compounds

4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine
CID 157045730
4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]morpholine;2-methylpyridine
CID 157045972
(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
CID 157045162
1,4-dioxane;2-methylpyridine
CID 158048361
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine;2-methylpyridine
CID 157045652
2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine
CID 157044785
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112912256
4-pyrido[3,2-d]pyrimidin-2-ylmorpholine
CID 67130702
4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole
CID 157045447
4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine
CID 58507712

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine?
The IUPAC name of 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine (CID 157045729) is 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine.
What is the SMILES notation for 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine?
The canonical SMILES for 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine is Cc1ccccn1.Cc1cnc2c(C34CC(C(F)(F)F)(C3)C4)nc(N3CCOCC3)nc2n1.
What is the InChIKey of 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine?
The InChIKey is VUKPUDLRHNZEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O.C6H7N/c1-10-6-21-11-12(15-7-16(8-15,9-15)17(18,19)20)23-14(24-13(11)22-10)25-2-4-26-5-3-25;1-6-4-2-3-5-7-6/h6H,2-5,7-9H2,1H3;2-5H,1H3.
What are the key properties of 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine?
2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine has a molecular weight of 458.49 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine is sourced from PubChem (CID 157045729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).