5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C26H32N8O — CID 70952876

IUPAC5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCCOc1cc(-c2cnc(Nc3ccc(N4CCN(C(C)C)C(C)C4)cc3)c3ncnn23)ccn1
InChIInChI=1S/C26H32N8O/c1-5-35-24-14-20(10-11-27-24)23-15-28-25(26-29-17-30-34(23)26)31-21-6-8-22(9-7-21)32-12-13-33(18(2)3)19(4)16-32/h6-11,14-15,17-19H,5,12-13,16H2,1-4H3,(H,28,31)
InChIKeyBGMOBSQJYXOACD-UHFFFAOYSA-N
MW472.60 g/mol
LogP4.25
Rot. Bonds7

About 5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 70952876) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID70952876
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCCOc1cc(-c2cnc(Nc3ccc(N4CCN(C(C)C)C(C)C4)cc3)c3ncnn23)ccn1
InChIInChI=1S/C26H32N8O/c1-5-35-24-14-20(10-11-27-24)23-15-28-25(26-29-17-30-34(23)26)31-21-6-8-22(9-7-21)32-12-13-33(18(2)3)19(4)16-32/h6-11,14-15,17-19H,5,12-13,16H2,1-4H3,(H,28,31)
InChIKeyBGMOBSQJYXOACD-UHFFFAOYSA-N
XLogP4.25
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 70952876) is 5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is CCOc1cc(-c2cnc(Nc3ccc(N4CCN(C(C)C)C(C)C4)cc3)c3ncnn23)ccn1.
What is the InChIKey of 5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is BGMOBSQJYXOACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-5-35-24-14-20(10-11-27-24)23-15-28-25(26-29-17-30-34(23)26)31-21-6-8-22(9-7-21)32-12-13-33(18(2)3)19(4)16-32/h6-11,14-15,17-19H,5,12-13,16H2,1-4H3,(H,28,31).
What are the key properties of 5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 472.60 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-4-pyridinyl)-N-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 70952876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).