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

C19H21N9S — CID 67122178

IUPAC2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3nccs3)nc2N1C(C)C
InChIInChI=1S/C19H21N9S/c1-5-13-16-25-24-12(4)28(16)14-10-22-19(23-15(14)27(13)11(2)3)26-8-6-20-17(26)18-21-7-9-29-18/h6-11,13H,5H2,1-4H3/t13-/m1/s1
InChIKeyISDXWDXGJMHUEM-CYBMUJFWSA-N
MW407.51 g/mol
LogP3.35
Rot. Bonds4

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

2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole (PubChem CID 67122178) has the molecular formula C19H21N9S and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
PubChem CID67122178
Molecular FormulaC19H21N9S
Molecular Weight407.51 g/mol
Exact Mass407.16
IUPAC Name2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3nccs3)nc2N1C(C)C
InChIInChI=1S/C19H21N9S/c1-5-13-16-25-24-12(4)28(16)14-10-22-19(23-15(14)27(13)11(2)3)26-8-6-20-17(26)18-21-7-9-29-18/h6-11,13H,5H2,1-4H3/t13-/m1/s1
InChIKeyISDXWDXGJMHUEM-CYBMUJFWSA-N
XLogP3.35
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole (CID 67122178) is 2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole is CC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3nccs3)nc2N1C(C)C.
What is the InChIKey of 2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?
The InChIKey is ISDXWDXGJMHUEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N9S/c1-5-13-16-25-24-12(4)28(16)14-10-22-19(23-15(14)27(13)11(2)3)26-8-6-20-17(26)18-21-7-9-29-18/h6-11,13H,5H2,1-4H3/t13-/m1/s1.
What are the key properties of 2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?
2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 407.51 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 67122178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).