(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C25H22N8O2 — CID 26060079

IUPAC(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OCc3nc(N)nc(Nc4ccccc4)n3)cc(-c3ccccc3)nc21
InChIInChI=1S/C25H22N8O2/c1-2-33-22-19(14-27-33)18(13-20(29-22)16-9-5-3-6-10-16)23(34)35-15-21-30-24(26)32-25(31-21)28-17-11-7-4-8-12-17/h3-14H,2,15H2,1H3,(H3,26,28,30,31,32)
InChIKeyAVTUKYDGSXHACH-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.99
Rot. Bonds7

About (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 26060079) has the molecular formula C25H22N8O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID26060079
Molecular FormulaC25H22N8O2
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OCc3nc(N)nc(Nc4ccccc4)n3)cc(-c3ccccc3)nc21
InChIInChI=1S/C25H22N8O2/c1-2-33-22-19(14-27-33)18(13-20(29-22)16-9-5-3-6-10-16)23(34)35-15-21-30-24(26)32-25(31-21)28-17-11-7-4-8-12-17/h3-14H,2,15H2,1H3,(H3,26,28,30,31,32)
InChIKeyAVTUKYDGSXHACH-UHFFFAOYSA-N
XLogP3.99
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 26060079) is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1ncc2c(C(=O)OCc3nc(N)nc(Nc4ccccc4)n3)cc(-c3ccccc3)nc21.
What is the InChIKey of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is AVTUKYDGSXHACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2/c1-2-33-22-19(14-27-33)18(13-20(29-22)16-9-5-3-6-10-16)23(34)35-15-21-30-24(26)32-25(31-21)28-17-11-7-4-8-12-17/h3-14H,2,15H2,1H3,(H3,26,28,30,31,32).
What are the key properties of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 466.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 26060079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).