2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine

C25H23F3N6O — CID 166121798

IUPAC2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine
SMILESCc1nc2nc(C3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(-c3c(F)cc(F)cc3F)c2nc1C
InChIInChI=1S/C25H23F3N6O/c1-12-13(2)31-25-23(30-12)22(21-18(27)8-16(26)9-19(21)28)32-24(33-25)14-5-6-35-20(7-14)15-10-29-34(11-15)17-3-4-17/h8-11,14,17,20H,3-7H2,1-2H3/t14?,20-/m1/s1
InChIKeyMSARITVVNGFOHK-YBMSBYLISA-N
MW480.49 g/mol
LogP5.29
Rot. Bonds4

About 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine

2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine (PubChem CID 166121798) has the molecular formula C25H23F3N6O and a molecular weight of 480.49 g/mol. Its IUPAC name is 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine.

Molecular Properties

Compound Name2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine
PubChem CID166121798
Molecular FormulaC25H23F3N6O
Molecular Weight480.49 g/mol
Exact Mass480.19
IUPAC Name2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine
SMILESCc1nc2nc(C3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(-c3c(F)cc(F)cc3F)c2nc1C
InChIInChI=1S/C25H23F3N6O/c1-12-13(2)31-25-23(30-12)22(21-18(27)8-16(26)9-19(21)28)32-24(33-25)14-5-6-35-20(7-14)15-10-29-34(11-15)17-3-4-17/h8-11,14,17,20H,3-7H2,1-2H3/t14?,20-/m1/s1
InChIKeyMSARITVVNGFOHK-YBMSBYLISA-N
XLogP5.29
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine?
The IUPAC name of 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine (CID 166121798) is 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine.
What is the SMILES notation for 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine?
The canonical SMILES for 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine is Cc1nc2nc(C3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(-c3c(F)cc(F)cc3F)c2nc1C.
What is the InChIKey of 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine?
The InChIKey is MSARITVVNGFOHK-YBMSBYLISA-N. The full InChI is InChI=1S/C25H23F3N6O/c1-12-13(2)31-25-23(30-12)22(21-18(27)8-16(26)9-19(21)28)32-24(33-25)14-5-6-35-20(7-14)15-10-29-34(11-15)17-3-4-17/h8-11,14,17,20H,3-7H2,1-2H3/t14?,20-/m1/s1.
What are the key properties of 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine?
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine has a molecular weight of 480.49 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine is sourced from PubChem (CID 166121798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).