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

C39H43FN14O — CID 161055606

IUPAC(4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-c3ccnc(F)c3)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(-c3ccnc(OC)c3)nc2N1C1CCCC1
InChIInChI=1S/C20H23N7O.C19H20FN7/c1-3-15-20-25-23-12-26(20)16-11-22-18(13-8-9-21-17(10-13)28-2)24-19(16)27(15)14-6-4-5-7-14;1-2-14-19-25-23-11-26(19)15-10-22-17(12-7-8-21-16(20)9-12)24-18(15)27(14)13-5-3-4-6-13/h8-12,14-15H,3-7H2,1-2H3;7-11,13-14H,2-6H2,1H3/t15-;14-/m11/s1
InChIKeyUCSAIECLXQPILE-DNYRVLSESA-N
MW742.87 g/mol
LogP6.81
Rot. Bonds7

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

(4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 161055606) has the molecular formula C39H43FN14O and a molecular weight of 742.87 g/mol. Its IUPAC name is (4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID161055606
Molecular FormulaC39H43FN14O
Molecular Weight742.87 g/mol
Exact Mass742.37
IUPAC Name(4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-c3ccnc(F)c3)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(-c3ccnc(OC)c3)nc2N1C1CCCC1
InChIInChI=1S/C20H23N7O.C19H20FN7/c1-3-15-20-25-23-12-26(20)16-11-22-18(13-8-9-21-17(10-13)28-2)24-19(16)27(15)14-6-4-5-7-14;1-2-14-19-25-23-11-26(19)15-10-22-17(12-7-8-21-16(20)9-12)24-18(15)27(14)13-5-3-4-6-13/h8-12,14-15H,3-7H2,1-2H3;7-11,13-14H,2-6H2,1H3/t15-;14-/m11/s1
InChIKeyUCSAIECLXQPILE-DNYRVLSESA-N
XLogP6.81
TPSA154.47 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500742.87
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Related Compounds

5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499430
4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine
CID 67122143
(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-cyclopentyl-4-ethyl-7-(2-pyridin-4-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979410
5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 141194019
(4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979426
(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387
methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate
CID 24890789
N,5-dicyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 66672557
(4R)-5-cyclopentyl-4-ethyl-7-(4-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979263
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979801
5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979490

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 161055606) is (4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nncn2-c2cnc(-c3ccnc(F)c3)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(-c3ccnc(OC)c3)nc2N1C1CCCC1.
What is the InChIKey of (4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is UCSAIECLXQPILE-DNYRVLSESA-N. The full InChI is InChI=1S/C20H23N7O.C19H20FN7/c1-3-15-20-25-23-12-26(20)16-11-22-18(13-8-9-21-17(10-13)28-2)24-19(16)27(15)14-6-4-5-7-14;1-2-14-19-25-23-11-26(19)15-10-22-17(12-7-8-21-16(20)9-12)24-18(15)27(14)13-5-3-4-6-13/h8-12,14-15H,3-7H2,1-2H3;7-11,13-14H,2-6H2,1H3/t15-;14-/m11/s1.
What are the key properties of (4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 742.87 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 161055606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).