4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine

C22H23N9 — CID 66979936

IUPAC4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3ccccc3)nc2N1N1CCCC1
InChIInChI=1S/C22H23N9/c1-2-17-21-27-25-15-30(21)18-14-24-22(26-20(18)31(17)28-11-6-7-12-28)29-13-10-23-19(29)16-8-4-3-5-9-16/h3-5,8-10,13-15,17H,2,6-7,11-12H2,1H3
InChIKeySJGSATYDACWHEJ-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.19
Rot. Bonds4

About 4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine

4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979936) has the molecular formula C22H23N9 and a molecular weight of 413.49 g/mol. Its IUPAC name is 4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979936
Molecular FormulaC22H23N9
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3ccccc3)nc2N1N1CCCC1
InChIInChI=1S/C22H23N9/c1-2-17-21-27-25-15-30(21)18-14-24-22(26-20(18)31(17)28-11-6-7-12-28)29-13-10-23-19(29)16-8-4-3-5-9-16/h3-5,8-10,13-15,17H,2,6-7,11-12H2,1H3
InChIKeySJGSATYDACWHEJ-UHFFFAOYSA-N
XLogP3.19
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387
(4R)-4-ethyl-5-(oxolan-3-yl)-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979484
(4R)-5-cyclopentyl-4-ethyl-7-(2-pyridin-4-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979410
5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979490
5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979445
methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate
CID 123548116
5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979593
(4R)-5-cyclobutyl-4-ethyl-7-[2-(2-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 56958990
(4R)-5-(3,3-difluorocyclobutyl)-4-ethyl-7-[2-(3-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979300
5-(3,3-difluorocyclobutyl)-4-ethyl-7-[2-(3-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979303
(4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498562
4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-5-(2-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979989

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979936) is 4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-n3ccnc3-c3ccccc3)nc2N1N1CCCC1.
What is the InChIKey of 4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is SJGSATYDACWHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9/c1-2-17-21-27-25-15-30(21)18-14-24-22(26-20(18)31(17)28-11-6-7-12-28)29-13-10-23-19(29)16-8-4-3-5-9-16/h3-5,8-10,13-15,17H,2,6-7,11-12H2,1H3.
What are the key properties of 4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 413.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).