(4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

C23H25N9 — CID 24888399

IUPAC(4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
SMILESCC[C@@H]1c2nncn2-c2cnc(Nc3ccc(-n4cccn4)cc3)nc2N1C1CCCC1
InChIInChI=1S/C23H25N9/c1-2-19-22-29-25-15-30(22)20-14-24-23(28-21(20)32(19)18-6-3-4-7-18)27-16-8-10-17(11-9-16)31-13-5-12-26-31/h5,8-15,18-19H,2-4,6-7H2,1H3,(H,24,27,28)/t19-/m1/s1
InChIKeyDOFQYQWLWGFANA-LJQANCHMSA-N
MW427.52 g/mol
LogP4.20
Rot. Bonds5

About (4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

(4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine (PubChem CID 24888399) has the molecular formula C23H25N9 and a molecular weight of 427.52 g/mol. Its IUPAC name is (4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine.

Molecular Properties

Compound Name(4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
PubChem CID24888399
Molecular FormulaC23H25N9
Molecular Weight427.52 g/mol
Exact Mass427.22
IUPAC Name(4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
SMILESCC[C@@H]1c2nncn2-c2cnc(Nc3ccc(-n4cccn4)cc3)nc2N1C1CCCC1
InChIInChI=1S/C23H25N9/c1-2-19-22-29-25-15-30(22)20-14-24-23(28-21(20)32(19)18-6-3-4-7-18)27-16-8-10-17(11-9-16)31-13-5-12-26-31/h5,8-15,18-19H,2-4,6-7H2,1H3,(H,24,27,28)/t19-/m1/s1
InChIKeyDOFQYQWLWGFANA-LJQANCHMSA-N
XLogP4.20
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The IUPAC name of (4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine (CID 24888399) is (4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine.
What is the SMILES notation for (4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The canonical SMILES for (4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine is CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(-n4cccn4)cc3)nc2N1C1CCCC1.
What is the InChIKey of (4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The InChIKey is DOFQYQWLWGFANA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N9/c1-2-19-22-29-25-15-30(22)20-14-24-23(28-21(20)32(19)18-6-3-4-7-18)27-16-8-10-17(11-9-16)31-13-5-12-26-31/h5,8-15,18-19H,2-4,6-7H2,1H3,(H,24,27,28)/t19-/m1/s1.
What are the key properties of (4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
(4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine has a molecular weight of 427.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyclopentyl-4-ethyl-N-(4-pyrazol-1-ylphenyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine is sourced from PubChem (CID 24888399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).