4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine

C23H21FN10 — CID 56959272

IUPAC4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccn(C)n1
InChIInChI=1S/C23H21FN10/c1-4-17-22-29-28-14(2)33(22)18-13-26-23(27-21(18)34(17)19-9-11-31(3)30-19)32-12-10-25-20(32)15-5-7-16(24)8-6-15/h5-13,17H,4H2,1-3H3
InChIKeyFZKHXUCRWUNAFQ-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.69
Rot. Bonds4

About 4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine

4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 56959272) has the molecular formula C23H21FN10 and a molecular weight of 456.49 g/mol. Its IUPAC name is 4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID56959272
Molecular FormulaC23H21FN10
Molecular Weight456.49 g/mol
Exact Mass456.19
IUPAC Name4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccn(C)n1
InChIInChI=1S/C23H21FN10/c1-4-17-22-29-28-14(2)33(22)18-13-26-23(27-21(18)34(17)19-9-11-31(3)30-19)32-12-10-25-20(32)15-5-7-16(24)8-6-15/h5-13,17H,4H2,1-3H3
InChIKeyFZKHXUCRWUNAFQ-UHFFFAOYSA-N
XLogP3.69
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 56959272) is 4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccn(C)n1.
What is the InChIKey of 4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is FZKHXUCRWUNAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN10/c1-4-17-22-29-28-14(2)33(22)18-13-26-23(27-21(18)34(17)19-9-11-31(3)30-19)32-12-10-25-20(32)15-5-7-16(24)8-6-15/h5-13,17H,4H2,1-3H3.
What are the key properties of 4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 456.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 56959272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).