(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine

C24H25F3N6O2 — CID 157045162

IUPAC(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
SMILESCOc1cc([C@@H]2CN(c3nc(C45CC(C(F)(F)F)(C4)C5)c4nc(C)c(C)nc4n3)CCO2)ccn1
InChIInChI=1S/C24H25F3N6O2/c1-13-14(2)30-20-18(29-13)19(22-10-23(11-22,12-22)24(25,26)27)31-21(32-20)33-6-7-35-16(9-33)15-4-5-28-17(8-15)34-3/h4-5,8,16H,6-7,9-12H2,1-3H3/t16-,22?,23?/m0/s1
InChIKeyWUZKWRQBVYRUTR-BPURVQTLSA-N
MW486.50 g/mol
LogP4.00
Rot. Bonds4

About (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine

(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine (PubChem CID 157045162) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
PubChem CID157045162
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
SMILESCOc1cc([C@@H]2CN(c3nc(C45CC(C(F)(F)F)(C4)C5)c4nc(C)c(C)nc4n3)CCO2)ccn1
InChIInChI=1S/C24H25F3N6O2/c1-13-14(2)30-20-18(29-13)19(22-10-23(11-22,12-22)24(25,26)27)31-21(32-20)33-6-7-35-16(9-33)15-4-5-28-17(8-15)34-3/h4-5,8,16H,6-7,9-12H2,1-3H3/t16-,22?,23?/m0/s1
InChIKeyWUZKWRQBVYRUTR-BPURVQTLSA-N
XLogP4.00
TPSA86.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine with MolForge

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Related Compounds

4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
CID 157045695
4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one
CID 166121802
(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)but-3-enyl]pteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 167284147
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane
CID 157045000
2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine
CID 166122290
(2S)-4-[4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 157045863
(2S)-2-(2-methoxy-4-pyridinyl)-4-methylmorpholine
CID 177322318
2-(2-methoxy-4-pyridinyl)-4-methylmorpholine
CID 177322257
4-[7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]morpholine
CID 157045730
(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 166834526
(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404
3-fluoro-4-[6-[2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-3-methyl-4-oxo-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-8-yl]benzonitrile
CID 176824919

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The IUPAC name of (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) is (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine.
What is the SMILES notation for (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The canonical SMILES for (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine is COc1cc([C@@H]2CN(c3nc(C45CC(C(F)(F)F)(C4)C5)c4nc(C)c(C)nc4n3)CCO2)ccn1.
What is the InChIKey of (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The InChIKey is WUZKWRQBVYRUTR-BPURVQTLSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-13-14(2)30-20-18(29-13)19(22-10-23(11-22,12-22)24(25,26)27)31-21(32-20)33-6-7-35-16(9-33)15-4-5-28-17(8-15)34-3/h4-5,8,16H,6-7,9-12H2,1-3H3/t16-,22?,23?/m0/s1.
What are the key properties of (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine has a molecular weight of 486.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine is sourced from PubChem (CID 157045162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).