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

C24H25FN8 — CID 77245019

IUPAC5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1C(C)C1CC1
InChIInChI=1S/C24H25FN8/c1-4-19-23-30-29-15(3)33(23)20-13-27-24(28-22(20)32(19)14(2)16-5-6-16)31-12-11-26-21(31)17-7-9-18(25)10-8-17/h7-14,16,19H,4-6H2,1-3H3
InChIKeyRADCCUVHYFXTLL-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.43
Rot. Bonds5

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

5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 77245019) has the molecular formula C24H25FN8 and a molecular weight of 444.52 g/mol. Its IUPAC name is 5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID77245019
Molecular FormulaC24H25FN8
Molecular Weight444.52 g/mol
Exact Mass444.22
IUPAC Name5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1C(C)C1CC1
InChIInChI=1S/C24H25FN8/c1-4-19-23-30-29-15(3)33(23)20-13-27-24(28-22(20)32(19)14(2)16-5-6-16)31-12-11-26-21(31)17-7-9-18(25)10-8-17/h7-14,16,19H,4-6H2,1-3H3
InChIKeyRADCCUVHYFXTLL-UHFFFAOYSA-N
XLogP4.43
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499259
4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499320
4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1H-pyrazol-5-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67122043
(4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979431
5-cyclopentyl-4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498738
8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
CID 76777977
7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4-(2,2,2-trifluoroethyl)-5-(3,3,3-trifluoropropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87422911
5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979458
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499836
(4R)-5-cyclobutyl-4-ethyl-1-methyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979430
5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979445
(4R)-7-[2-(3-fluorophenyl)imidazol-1-yl]-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87423224

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 77245019) is 5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1C(C)C1CC1.
What is the InChIKey of 5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is RADCCUVHYFXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8/c1-4-19-23-30-29-15(3)33(23)20-13-27-24(28-22(20)32(19)14(2)16-5-6-16)31-12-11-26-21(31)17-7-9-18(25)10-8-17/h7-14,16,19H,4-6H2,1-3H3.
What are the key properties of 5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 444.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 77245019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).