4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole

C20H21N9S — CID 67499656

IUPAC4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole
SMILESCCC1c2nncn2-c2cnc(-n3cnc(-c4cscn4)c3)nc2N1C1CCCC1
InChIInChI=1S/C20H21N9S/c1-2-16-19-26-24-11-28(19)17-7-21-20(25-18(17)29(16)13-5-3-4-6-13)27-8-14(22-10-27)15-9-30-12-23-15/h7-13,16H,2-6H2,1H3
InChIKeyAAKHTTMBIGEWLO-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.58
Rot. Bonds4

About 4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole

4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole (PubChem CID 67499656) has the molecular formula C20H21N9S and a molecular weight of 419.52 g/mol. Its IUPAC name is 4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole
PubChem CID67499656
Molecular FormulaC20H21N9S
Molecular Weight419.52 g/mol
Exact Mass419.16
IUPAC Name4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole
SMILESCCC1c2nncn2-c2cnc(-n3cnc(-c4cscn4)c3)nc2N1C1CCCC1
InChIInChI=1S/C20H21N9S/c1-2-16-19-26-24-11-28(19)17-7-21-20(25-18(17)29(16)13-5-3-4-6-13)27-8-14(22-10-27)15-9-30-12-23-15/h7-13,16H,2-6H2,1H3
InChIKeyAAKHTTMBIGEWLO-UHFFFAOYSA-N
XLogP3.58
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole (CID 67499656) is 4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole is CCC1c2nncn2-c2cnc(-n3cnc(-c4cscn4)c3)nc2N1C1CCCC1.
What is the InChIKey of 4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole?
The InChIKey is AAKHTTMBIGEWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9S/c1-2-16-19-26-24-11-28(19)17-7-21-20(25-18(17)29(16)13-5-3-4-6-13)27-8-14(22-10-27)15-9-30-12-23-15/h7-13,16H,2-6H2,1H3.
What are the key properties of 4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole?
4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole has a molecular weight of 419.52 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 67499656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).