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

C25H26F3N5O2 — CID 166122290

IUPAC2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine
SMILESCOc1cccc([C@H]2C[C@H](c3nc(C45CC(C(F)(F)F)(C4)C5)c4nc(C)c(C)nc4n3)CCO2)n1
InChIInChI=1S/C25H26F3N5O2/c1-13-14(2)30-22-19(29-13)20(23-10-24(11-23,12-23)25(26,27)28)32-21(33-22)15-7-8-35-17(9-15)16-5-4-6-18(31-16)34-3/h4-6,15,17H,7-12H2,1-3H3/t15-,17-,23?,24?/m1/s1
InChIKeyYHSRIQPMHFXVBO-JRIUHTJRSA-N
MW485.51 g/mol
LogP5.06
Rot. Bonds4

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

2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine (PubChem CID 166122290) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine.

Molecular Properties

Compound Name2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine
PubChem CID166122290
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine
SMILESCOc1cccc([C@H]2C[C@H](c3nc(C45CC(C(F)(F)F)(C4)C5)c4nc(C)c(C)nc4n3)CCO2)n1
InChIInChI=1S/C25H26F3N5O2/c1-13-14(2)30-22-19(29-13)20(23-10-24(11-23,12-23)25(26,27)28)32-21(33-22)15-7-8-35-17(9-15)16-5-4-6-18(31-16)34-3/h4-6,15,17H,7-12H2,1-3H3/t15-,17-,23?,24?/m1/s1
InChIKeyYHSRIQPMHFXVBO-JRIUHTJRSA-N
XLogP5.06
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122662
1-cyclobutyl-5-[(2R,4S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]oxan-2-yl]pyridin-2-one
CID 177138228
(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-(6-methoxy-2-pyridinyl)oxan-4-ol
CID 103348636
7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethyl-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[3,4-b]pyrazine
CID 157044736
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine
CID 166123288
7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 177137205
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine
CID 177137232
6-[2-(1-amino-6-oxo-3-pyridinyl)oxan-4-yl]-2,3-dimethyl-8-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrimido[5,4-d]pyrimidin-4-one
CID 177138539
2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
CID 166122917
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
CID 157045282
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-6-methylsulfanyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine;prop-1-ene
CID 177137387

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine?
The IUPAC name of 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) is 2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine.
What is the SMILES notation for 2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine?
The canonical SMILES for 2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine is COc1cccc([C@H]2C[C@H](c3nc(C45CC(C(F)(F)F)(C4)C5)c4nc(C)c(C)nc4n3)CCO2)n1.
What is the InChIKey of 2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine?
The InChIKey is YHSRIQPMHFXVBO-JRIUHTJRSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-13-14(2)30-22-19(29-13)20(23-10-24(11-23,12-23)25(26,27)28)32-21(33-22)15-7-8-35-17(9-15)16-5-4-6-18(31-16)34-3/h4-6,15,17H,7-12H2,1-3H3/t15-,17-,23?,24?/m1/s1.
What are the key properties of 2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine?
2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine has a molecular weight of 485.51 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine is sourced from PubChem (CID 166122290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).