(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

C26H27N7 — CID 66979399

IUPAC(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1C1CCCC1
InChIInChI=1S/C26H27N7/c1-3-22-26-31-30-17(2)32(26)23-16-28-24(29-25(23)33(22)19-11-7-8-12-19)20-13-14-27-15-21(20)18-9-5-4-6-10-18/h4-6,9-10,13-16,19,22H,3,7-8,11-12H2,1-2H3/t22-/m1/s1
InChIKeyKMGGTEKYABXOTB-JOCHJYFZSA-N
MW437.55 g/mol
LogP5.31
Rot. Bonds4

About (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979399) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979399
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC Name(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1C1CCCC1
InChIInChI=1S/C26H27N7/c1-3-22-26-31-30-17(2)32(26)23-16-28-24(29-25(23)33(22)19-11-7-8-12-19)20-13-14-27-15-21(20)18-9-5-4-6-10-18/h4-6,9-10,13-16,19,22H,3,7-8,11-12H2,1-2H3/t22-/m1/s1
InChIKeyKMGGTEKYABXOTB-JOCHJYFZSA-N
XLogP5.31
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine with MolForge

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Launch Full Analysis

Related Compounds

5-cyclobutyl-4-ethyl-1-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979451
(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979507
(4R)-7-[3-[2-(benzenesulfonyl)ethyl]-4-pyridinyl]-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 161366009
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
CID 58405739
5-cyclopentyl-4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498738
(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
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979564
4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
CID 66979234
5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979458
(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
(4R)-5-cyclopentyl-7-(2-cyclopropylimidazol-1-yl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 56959270
N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 67498556

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979399) is (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nnc(C)n2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1C1CCCC1.
What is the InChIKey of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is KMGGTEKYABXOTB-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N7/c1-3-22-26-31-30-17(2)32(26)23-16-28-24(29-25(23)33(22)19-11-7-8-12-19)20-13-14-27-15-21(20)18-9-5-4-6-10-18/h4-6,9-10,13-16,19,22H,3,7-8,11-12H2,1-2H3/t22-/m1/s1.
What are the key properties of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 437.55 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).