(4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine

C20H22N10 — CID 66979431

IUPAC(4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ncccn3)nc2N1C(C)C
InChIInChI=1S/C20H22N10/c1-5-14-18-27-26-13(4)30(18)15-11-24-20(25-17(15)29(14)12(2)3)28-10-9-23-19(28)16-21-7-6-8-22-16/h6-12,14H,5H2,1-4H3/t14-/m1/s1
InChIKeyKATCXKIZQMASPB-CQSZACIVSA-N
MW402.47 g/mol
LogP2.69
Rot. Bonds4

About (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine

(4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979431) has the molecular formula C20H22N10 and a molecular weight of 402.47 g/mol. Its IUPAC name is (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979431
Molecular FormulaC20H22N10
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Name(4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ncccn3)nc2N1C(C)C
InChIInChI=1S/C20H22N10/c1-5-14-18-27-26-13(4)30(18)15-11-24-20(25-17(15)29(14)12(2)3)28-10-9-23-19(28)16-21-7-6-8-22-16/h6-12,14H,5H2,1-4H3/t14-/m1/s1
InChIKeyKATCXKIZQMASPB-CQSZACIVSA-N
XLogP2.69
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine with MolForge

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Related Compounds

(4R)-5-cyclobutyl-4-ethyl-1-methyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979430
5-(1-cyclopropylethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 77245019
5-cyclopentyl-4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498738
5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979458
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)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499836
5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499259
(4R)-5-(cyclobutadienyl)-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979816
(4R)-5-cyclopentyl-7-(2-cyclopropylimidazol-1-yl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 56959270
5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979593
2-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-1-(4-fluorophenyl)ethanone
CID 66979195
4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
CID 66979882

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979431) is (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3ncccn3)nc2N1C(C)C.
What is the InChIKey of (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is KATCXKIZQMASPB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N10/c1-5-14-18-27-26-13(4)30(18)15-11-24-20(25-17(15)29(14)12(2)3)28-10-9-23-19(28)16-21-7-6-8-22-16/h6-12,14H,5H2,1-4H3/t14-/m1/s1.
What are the key properties of (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 402.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).