4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid

C17H18N8O2 — CID 175266678

IUPAC4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid
SMILESCCn1nc(C)cc1-c1nc(-c2nc(C(=O)O)cc3c2cnn3C)n(C)n1
InChIInChI=1S/C17H18N8O2/c1-5-25-13(6-9(2)21-25)15-20-16(24(4)22-15)14-10-8-18-23(3)12(10)7-11(19-14)17(26)27/h6-8H,5H2,1-4H3,(H,26,27)
InChIKeyOKJJPRSUNXMTDH-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.65
Rot. Bonds4

About 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid

4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid (PubChem CID 175266678) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid
PubChem CID175266678
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid
SMILESCCn1nc(C)cc1-c1nc(-c2nc(C(=O)O)cc3c2cnn3C)n(C)n1
InChIInChI=1S/C17H18N8O2/c1-5-25-13(6-9(2)21-25)15-20-16(24(4)22-15)14-10-8-18-23(3)12(10)7-11(19-14)17(26)27/h6-8H,5H2,1-4H3,(H,26,27)
InChIKeyOKJJPRSUNXMTDH-UHFFFAOYSA-N
XLogP1.65
TPSA116.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid (CID 175266678) is 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid is CCn1nc(C)cc1-c1nc(-c2nc(C(=O)O)cc3c2cnn3C)n(C)n1.
What is the InChIKey of 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid?
The InChIKey is OKJJPRSUNXMTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c1-5-25-13(6-9(2)21-25)15-20-16(24(4)22-15)14-10-8-18-23(3)12(10)7-11(19-14)17(26)27/h6-8H,5H2,1-4H3,(H,26,27).
What are the key properties of 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid?
4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid has a molecular weight of 366.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 175266678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).