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

C19H17N11S — CID 66979468

IUPAC2-[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
SMILESCCC1c2nncn2-c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1c1cnn(C)c1
InChIInChI=1S/C19H17N11S/c1-3-13-18-27-23-10-29(18)14-8-21-16(12-7-22-26-15(12)19-20-4-5-31-19)25-17(14)30(13)11-6-24-28(2)9-11/h4-10,13H,3H2,1-2H3,(H,22,26)
InChIKeyMXAXLXFVCPKRPY-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.91
Rot. Bonds4

About 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

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 (PubChem CID 66979468) has the molecular formula C19H17N11S and a molecular weight of 431.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID66979468
Molecular FormulaC19H17N11S
Molecular Weight431.49 g/mol
Exact Mass431.14
IUPAC Name2-[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
SMILESCCC1c2nncn2-c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1c1cnn(C)c1
InChIInChI=1S/C19H17N11S/c1-3-13-18-27-23-10-29(18)14-8-21-16(12-7-22-26-15(12)19-20-4-5-31-19)25-17(14)30(13)11-6-24-28(2)9-11/h4-10,13H,3H2,1-2H3,(H,22,26)
InChIKeyMXAXLXFVCPKRPY-UHFFFAOYSA-N
XLogP2.91
TPSA119.12 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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-[(4R)-5-(3,4-difluorophenyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-1H-pyrazol-5-yl]-1,3-thiazole
CID 66979580
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
4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979961
4-[4-ethyl-7-[5-(4-fluorophenyl)-1,2-thiazol-4-yl]-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]benzonitrile
CID 66979779
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
4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
CID 66979234
(4R)-5-cyclopentyl-4-ethyl-7-(1-oxidopyridin-1-ium-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499872
(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979507
4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499320
4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 66712962

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1c2nncn2-c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1c1cnn(C)c1.
What is the InChIKey of 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?
The InChIKey is MXAXLXFVCPKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N11S/c1-3-13-18-27-23-10-29(18)14-8-21-16(12-7-22-26-15(12)19-20-4-5-31-19)25-17(14)30(13)11-6-24-28(2)9-11/h4-10,13H,3H2,1-2H3,(H,22,26).
What are the key properties of 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?
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 has a molecular weight of 431.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66979468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).