3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C23H23N9 — CID 118930274

IUPAC3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2n1CCN(c1cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn1)C2
InChIInChI=1S/C23H23N9/c1-3-21-27-28-23-15-30(8-9-31(21)23)22-11-19(6-7-24-22)32-20-10-16(4-5-17(20)12-26-32)18-13-25-29(2)14-18/h4-7,10-14H,3,8-9,15H2,1-2H3
InChIKeyRRIRJMKXSQLQDD-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.00
Rot. Bonds4

About 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 118930274) has the molecular formula C23H23N9 and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID118930274
Molecular FormulaC23H23N9
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2n1CCN(c1cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn1)C2
InChIInChI=1S/C23H23N9/c1-3-21-27-28-23-15-30(8-9-31(21)23)22-11-19(6-7-24-22)32-20-10-16(4-5-17(20)12-26-32)18-13-25-29(2)14-18/h4-7,10-14H,3,8-9,15H2,1-2H3
InChIKeyRRIRJMKXSQLQDD-UHFFFAOYSA-N
XLogP3.00
TPSA82.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 118930274) is 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCc1nnc2n1CCN(c1cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn1)C2.
What is the InChIKey of 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RRIRJMKXSQLQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9/c1-3-21-27-28-23-15-30(8-9-31(21)23)22-11-19(6-7-24-22)32-20-10-16(4-5-17(20)12-26-32)18-13-25-29(2)14-18/h4-7,10-14H,3,8-9,15H2,1-2H3.
What are the key properties of 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 425.50 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 118930274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).