methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate

C24H27N9O2 — CID 123548116

IUPACmethyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3ccccc3)nc2N1N(C(=O)OC)C(C)(C)C
InChIInChI=1S/C24H27N9O2/c1-6-17-21-29-27-15-31(21)18-14-26-22(30-13-12-25-19(30)16-10-8-7-9-11-16)28-20(18)32(17)33(23(34)35-5)24(2,3)4/h7-15,17H,6H2,1-5H3
InChIKeyVYYACKSLDBJRDY-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.96
Rot. Bonds4

About methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate

methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate (PubChem CID 123548116) has the molecular formula C24H27N9O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate
PubChem CID123548116
Molecular FormulaC24H27N9O2
Molecular Weight473.54 g/mol
Exact Mass473.23
IUPAC Namemethyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3ccccc3)nc2N1N(C(=O)OC)C(C)(C)C
InChIInChI=1S/C24H27N9O2/c1-6-17-21-29-27-15-31(21)18-14-26-22(30-13-12-25-19(30)16-10-8-7-9-11-16)28-20(18)32(17)33(23(34)35-5)24(2,3)4/h7-15,17H,6H2,1-5H3
InChIKeyVYYACKSLDBJRDY-UHFFFAOYSA-N
XLogP3.96
TPSA107.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979936
(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
5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979445
tert-butyl N-[4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate
CID 67500128
(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-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
8-amino-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one;hydrochloride
CID 67260078
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
4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]benzonitrile
CID 66979514

Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate?
The IUPAC name of 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) is methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate.
What is the SMILES notation for methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate?
The canonical SMILES for methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate is CCC1c2nncn2-c2cnc(-n3ccnc3-c3ccccc3)nc2N1N(C(=O)OC)C(C)(C)C.
What is the InChIKey of methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate?
The InChIKey is VYYACKSLDBJRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O2/c1-6-17-21-29-27-15-31(21)18-14-26-22(30-13-12-25-19(30)16-10-8-7-9-11-16)28-20(18)32(17)33(23(34)35-5)24(2,3)4/h7-15,17H,6H2,1-5H3.
What are the key properties of methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate?
methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate has a molecular weight of 473.54 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-tert-butyl-N-[4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate is sourced from PubChem (CID 123548116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).