2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine

C24H23F2N7O — CID 166121771

IUPAC2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
SMILESCc1nc2nc(C3CCOC(c4cnn(C5CC5)n4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C24H23F2N7O/c1-12-13(2)29-24-22(28-12)21(17-6-3-15(25)10-18(17)26)30-23(31-24)14-7-8-34-20(9-14)19-11-27-33(32-19)16-4-5-16/h3,6,10-11,14,16,20H,4-5,7-9H2,1-2H3
InChIKeyCZDKBWYDOJOKES-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.54
Rot. Bonds4

About 2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine

2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine (PubChem CID 166121771) has the molecular formula C24H23F2N7O and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine.

Molecular Properties

Compound Name2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
PubChem CID166121771
Molecular FormulaC24H23F2N7O
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
SMILESCc1nc2nc(C3CCOC(c4cnn(C5CC5)n4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C24H23F2N7O/c1-12-13(2)29-24-22(28-12)21(17-6-3-15(25)10-18(17)26)30-23(31-24)14-7-8-34-20(9-14)19-11-27-33(32-19)16-4-5-16/h3,6,10-11,14,16,20H,4-5,7-9H2,1-2H3
InChIKeyCZDKBWYDOJOKES-UHFFFAOYSA-N
XLogP4.54
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
CID 166122917
4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122662
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
CID 157045282
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine
CID 166123010
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[2-(3-methylbenzimidazol-5-yl)oxan-4-yl]pteridine;ethane
CID 177137322
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine
CID 166121798
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157044476
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157045272
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[4-(difluoromethoxy)-2-fluorophenyl]-6,7-dimethylpteridine
CID 166121512
CID 166122412
CID 166122412
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6-methoxy-7-methylpteridine
CID 166122783

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine?
The IUPAC name of 2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine (CID 166121771) is 2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine.
What is the SMILES notation for 2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine?
The canonical SMILES for 2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine is Cc1nc2nc(C3CCOC(c4cnn(C5CC5)n4)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of 2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine?
The InChIKey is CZDKBWYDOJOKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O/c1-12-13(2)29-24-22(28-12)21(17-6-3-15(25)10-18(17)26)30-23(31-24)14-7-8-34-20(9-14)19-11-27-33(32-19)16-4-5-16/h3,6,10-11,14,16,20H,4-5,7-9H2,1-2H3.
What are the key properties of 2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine?
2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine has a molecular weight of 463.49 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine is sourced from PubChem (CID 166121771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).