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

C17H18F3N5O — CID 157045730

IUPAC4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine
SMILESCc1cnc2c(C34CC(C(F)(F)F)(C3)C4)nc(N3CCOCC3)nc2n1
InChIInChI=1S/C17H18F3N5O/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/h6H,2-5,7-9H2,1H3
InChIKeyFZBSBMQBURPTFF-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.55
Rot. Bonds2

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

4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine (PubChem CID 157045730) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine
PubChem CID157045730
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine
SMILESCc1cnc2c(C34CC(C(F)(F)F)(C3)C4)nc(N3CCOCC3)nc2n1
InChIInChI=1S/C17H18F3N5O/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/h6H,2-5,7-9H2,1H3
InChIKeyFZBSBMQBURPTFF-UHFFFAOYSA-N
XLogP2.55
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylpyridine;4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine
CID 157045729
(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
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
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
CID 157044800
4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]morpholine;2-methylpyridine
CID 157045972
4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine
CID 157045389
4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole
CID 157045447
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 166561577
4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154883448
4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 155981444

Frequently Asked Questions

What is the IUPAC name of 4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine?
The IUPAC name of 4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine (CID 157045730) is 4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine.
What is the SMILES notation for 4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine?
The canonical SMILES for 4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine is Cc1cnc2c(C34CC(C(F)(F)F)(C3)C4)nc(N3CCOCC3)nc2n1.
What is the InChIKey of 4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine?
The InChIKey is FZBSBMQBURPTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/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/h6H,2-5,7-9H2,1H3.
What are the key properties of 4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine?
4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine has a molecular weight of 365.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine is sourced from PubChem (CID 157045730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).