4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine

C25H23F2N5O2 — CID 166122662

IUPAC4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
SMILESCOc1cccc([C@H]2C[C@@H](c3nc(-c4ccc(F)cc4F)c4nc(C)c(C)nc4n3)CCO2)n1
InChIInChI=1S/C25H23F2N5O2/c1-13-14(2)29-25-23(28-13)22(17-8-7-16(26)12-18(17)27)31-24(32-25)15-9-10-34-20(11-15)19-5-4-6-21(30-19)33-3/h4-8,12,15,20H,9-11H2,1-3H3/t15-,20+/m0/s1
InChIKeyQZRBAQICTLCPJL-MGPUTAFESA-N
MW463.49 g/mol
LogP5.02
Rot. Bonds4

About 4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine

4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine (PubChem CID 166122662) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
PubChem CID166122662
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
SMILESCOc1cccc([C@H]2C[C@@H](c3nc(-c4ccc(F)cc4F)c4nc(C)c(C)nc4n3)CCO2)n1
InChIInChI=1S/C25H23F2N5O2/c1-13-14(2)29-25-23(28-13)22(17-8-7-16(26)12-18(17)27)31-24(32-25)15-9-10-34-20(11-15)19-5-4-6-21(30-19)33-3/h4-8,12,15,20H,9-11H2,1-3H3/t15-,20+/m0/s1
InChIKeyQZRBAQICTLCPJL-MGPUTAFESA-N
XLogP5.02
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine?
The IUPAC name of 4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine (CID 166122662) is 4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine is COc1cccc([C@H]2C[C@@H](c3nc(-c4ccc(F)cc4F)c4nc(C)c(C)nc4n3)CCO2)n1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine?
The InChIKey is QZRBAQICTLCPJL-MGPUTAFESA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-13-14(2)29-25-23(28-13)22(17-8-7-16(26)12-18(17)27)31-24(32-25)15-9-10-34-20(11-15)19-5-4-6-21(30-19)33-3/h4-8,12,15,20H,9-11H2,1-3H3/t15-,20+/m0/s1.
What are the key properties of 4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine?
4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine has a molecular weight of 463.49 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine is sourced from PubChem (CID 166122662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).