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

C24H23N7 — CID 66979507

IUPAC(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1C1CCC1
InChIInChI=1S/C24H23N7/c1-2-20-24-29-27-15-30(24)21-14-26-22(28-23(21)31(20)17-9-6-10-17)18-11-12-25-13-19(18)16-7-4-3-5-8-16/h3-5,7-8,11-15,17,20H,2,6,9-10H2,1H3/t20-/m1/s1
InChIKeyCYCXKAZPNBCAIH-HXUWFJFHSA-N
MW409.50 g/mol
LogP4.61
Rot. Bonds4

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

(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979507) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is (4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979507
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC Name(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1C1CCC1
InChIInChI=1S/C24H23N7/c1-2-20-24-29-27-15-30(24)21-14-26-22(28-23(21)31(20)17-9-6-10-17)18-11-12-25-13-19(18)16-7-4-3-5-8-16/h3-5,7-8,11-15,17,20H,2,6,9-10H2,1H3/t20-/m1/s1
InChIKeyCYCXKAZPNBCAIH-HXUWFJFHSA-N
XLogP4.61
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979399
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
CID 58405739
4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979961
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-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387
(4R)-5-cyclopentyl-4-ethyl-7-(1-oxidopyridin-1-ium-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499872
5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499430
tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate
CID 77406461
5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 141194019
(4R)-5-cyclopentyl-4-ethyl-7-(2-pyridin-4-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979410
(4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979426

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979507) is (4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nncn2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1C1CCC1.
What is the InChIKey of (4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is CYCXKAZPNBCAIH-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23N7/c1-2-20-24-29-27-15-30(24)21-14-26-22(28-23(21)31(20)17-9-6-10-17)18-11-12-25-13-19(18)16-7-4-3-5-8-16/h3-5,7-8,11-15,17,20H,2,6,9-10H2,1H3/t20-/m1/s1.
What are the key properties of (4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 409.50 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).