methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate

C21H17N3O2 — CID 2339293

IUPACmethyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C21H17N3O2/c1-14-19-17(21(25)26-2)13-18(15-9-5-3-6-10-15)22-20(19)24(23-14)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKeyIWJWBEIFBBFNSP-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.18
Rot. Bonds3

About methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate

methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 2339293) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID2339293
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Namemethyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C21H17N3O2/c1-14-19-17(21(25)26-2)13-18(15-9-5-3-6-10-15)22-20(19)24(23-14)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKeyIWJWBEIFBBFNSP-UHFFFAOYSA-N
XLogP4.18
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 2339293) is methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is IWJWBEIFBBFNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-19-17(21(25)26-2)13-18(15-9-5-3-6-10-15)22-20(19)24(23-14)16-11-7-4-8-12-16/h3-13H,1-2H3.
What are the key properties of methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 343.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 2339293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).