4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole

C18H18N8OS — CID 66979577

IUPAC4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESCCC1c2nncn2-c2cnc(-c3cnoc3-c3nccs3)nc2N1C(C)C
InChIInChI=1S/C18H18N8OS/c1-4-12-17-24-21-9-25(17)13-8-20-15(23-16(13)26(12)10(2)3)11-7-22-27-14(11)18-19-5-6-28-18/h5-10,12H,4H2,1-3H3
InChIKeyFYPWKWRTXGXMGH-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.52
Rot. Bonds4

About 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole

4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole (PubChem CID 66979577) has the molecular formula C18H18N8OS and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
PubChem CID66979577
Molecular FormulaC18H18N8OS
Molecular Weight394.46 g/mol
Exact Mass394.13
IUPAC Name4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESCCC1c2nncn2-c2cnc(-c3cnoc3-c3nccs3)nc2N1C(C)C
InChIInChI=1S/C18H18N8OS/c1-4-12-17-24-21-9-25(17)13-8-20-15(23-16(13)26(12)10(2)3)11-7-22-27-14(11)18-19-5-6-28-18/h5-10,12H,4H2,1-3H3
InChIKeyFYPWKWRTXGXMGH-UHFFFAOYSA-N
XLogP3.52
TPSA98.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole 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

(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one
CID 58405573
2-[1-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-2-yl]-1,3-thiazole
CID 66979817
(4R)-4-ethyl-5-propan-2-yl-7-[4-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979585
2-[4-[(4R)-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 66979556
2-[4-[(4R)-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-1-methylpyrazol-5-yl]-1,3-thiazole
CID 66979666
2-[4-[4-ethyl-5-(1-methylpyrazol-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-1H-pyrazol-5-yl]-1,3-thiazole
CID 66979468
5-[(4R)-4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-4-(4-fluorophenyl)-1,3-thiazole-2-carbonitrile
CID 67499705
(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223274
4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979728
2-[1-[(4R)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
CID 87223323
4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
CID 66979234
(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979507

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole?
The IUPAC name of 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole (CID 66979577) is 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole?
The canonical SMILES for 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole is CCC1c2nncn2-c2cnc(-c3cnoc3-c3nccs3)nc2N1C(C)C.
What is the InChIKey of 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole?
The InChIKey is FYPWKWRTXGXMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8OS/c1-4-12-17-24-21-9-25(17)13-8-20-15(23-16(13)26(12)10(2)3)11-7-22-27-14(11)18-19-5-6-28-18/h5-10,12H,4H2,1-3H3.
What are the key properties of 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole?
4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole has a molecular weight of 394.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 66979577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).