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

C20H19N11S — CID 66979666

IUPAC2-[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
SMILESCC[C@@H]1c2nncn2-c2cnc(-c3cnn(C)c3-c3nccs3)nc2N1c1ccn(C)n1
InChIInChI=1S/C20H19N11S/c1-4-13-19-26-23-11-30(19)14-10-22-17(25-18(14)31(13)15-5-7-28(2)27-15)12-9-24-29(3)16(12)20-21-6-8-32-20/h5-11,13H,4H2,1-3H3/t13-/m1/s1
InChIKeyBTMPJMKRPOJBLC-CYBMUJFWSA-N
MW445.52 g/mol
LogP2.92
Rot. Bonds4

About 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

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 (PubChem CID 66979666) has the molecular formula C20H19N11S and a molecular weight of 445.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID66979666
Molecular FormulaC20H19N11S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC Name2-[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
SMILESCC[C@@H]1c2nncn2-c2cnc(-c3cnn(C)c3-c3nccs3)nc2N1c1ccn(C)n1
InChIInChI=1S/C20H19N11S/c1-4-13-19-26-23-11-30(19)14-10-22-17(25-18(14)31(13)15-5-7-28(2)27-15)12-9-24-29(3)16(12)20-21-6-8-32-20/h5-11,13H,4H2,1-3H3/t13-/m1/s1
InChIKeyBTMPJMKRPOJBLC-CYBMUJFWSA-N
XLogP2.92
TPSA108.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@@H]1c2nncn2-c2cnc(-c3cnn(C)c3-c3nccs3)nc2N1c1ccn(C)n1.
What is the InChIKey of 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?
The InChIKey is BTMPJMKRPOJBLC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N11S/c1-4-13-19-26-23-11-30(19)14-10-22-17(25-18(14)31(13)15-5-7-28(2)27-15)12-9-24-29(3)16(12)20-21-6-8-32-20/h5-11,13H,4H2,1-3H3/t13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 445.52 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66979666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).