2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one

C21H23FN6O — CID 58405755

IUPAC2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one
SMILESCC(C)N1c2nc(-n3ccnc3-c3ccc(F)cc3)ncc2N(C)C(=O)C1(C)C
InChIInChI=1S/C21H23FN6O/c1-13(2)28-18-16(26(5)19(29)21(28,3)4)12-24-20(25-18)27-11-10-23-17(27)14-6-8-15(22)9-7-14/h6-13H,1-5H3
InChIKeyRCTLMZOWMCIZPV-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.44
Rot. Bonds3

About 2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one

2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one (PubChem CID 58405755) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one
PubChem CID58405755
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one
SMILESCC(C)N1c2nc(-n3ccnc3-c3ccc(F)cc3)ncc2N(C)C(=O)C1(C)C
InChIInChI=1S/C21H23FN6O/c1-13(2)28-18-16(26(5)19(29)21(28,3)4)12-24-20(25-18)27-11-10-23-17(27)14-6-8-15(22)9-7-14/h6-13H,1-5H3
InChIKeyRCTLMZOWMCIZPV-UHFFFAOYSA-N
XLogP3.44
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one?
The IUPAC name of 2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one (CID 58405755) is 2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one is CC(C)N1c2nc(-n3ccnc3-c3ccc(F)cc3)ncc2N(C)C(=O)C1(C)C.
What is the InChIKey of 2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one?
The InChIKey is RCTLMZOWMCIZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-13(2)28-18-16(26(5)19(29)21(28,3)4)12-24-20(25-18)27-11-10-23-17(27)14-6-8-15(22)9-7-14/h6-13H,1-5H3.
What are the key properties of 2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one?
2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one has a molecular weight of 394.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)imidazol-1-yl]-5,7,7-trimethyl-8-propan-2-ylpteridin-6-one is sourced from PubChem (CID 58405755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).