4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

C22H20N10 — CID 66979846

IUPAC4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3)nc2N1c1cccc(-n2cccn2)c1
InChIInChI=1S/C22H20N10/c1-3-18-21-28-27-15(2)31(21)19-13-24-22(29-11-9-23-14-29)26-20(19)32(18)17-7-4-6-16(12-17)30-10-5-8-25-30/h4-14,18H,3H2,1-2H3
InChIKeyHZMOBYCOTNKDJF-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.34
Rot. Bonds4

About 4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979846) has the molecular formula C22H20N10 and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979846
Molecular FormulaC22H20N10
Molecular Weight424.47 g/mol
Exact Mass424.19
IUPAC Name4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nnc(C)n2-c2cnc(-n3ccnc3)nc2N1c1cccc(-n2cccn2)c1
InChIInChI=1S/C22H20N10/c1-3-18-21-28-27-15(2)31(21)19-13-24-22(29-11-9-23-14-29)26-20(19)32(18)17-7-4-6-16(12-17)30-10-5-8-25-30/h4-14,18H,3H2,1-2H3
InChIKeyHZMOBYCOTNKDJF-UHFFFAOYSA-N
XLogP3.34
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979846) is 4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nnc(C)n2-c2cnc(-n3ccnc3)nc2N1c1cccc(-n2cccn2)c1.
What is the InChIKey of 4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is HZMOBYCOTNKDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N10/c1-3-18-21-28-27-15(2)31(21)19-13-24-22(29-11-9-23-14-29)26-20(19)32(18)17-7-4-6-16(12-17)30-10-5-8-25-30/h4-14,18H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 424.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-imidazol-1-yl-1-methyl-5-(3-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).