methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C23H21N3O2 — CID 25247937

IUPACmethyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2Cc1ccc(C)cc1
InChIInChI=1S/C23H21N3O2/c1-15-9-11-17(12-10-15)14-26-22-21(16(2)25-26)19(23(27)28-3)13-20(24-22)18-7-5-4-6-8-18/h4-13H,14H2,1-3H3
InChIKeyHUVJILQBARDCEL-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.55
Rot. Bonds4

About methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 25247937) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID25247937
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Namemethyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2Cc1ccc(C)cc1
InChIInChI=1S/C23H21N3O2/c1-15-9-11-17(12-10-15)14-26-22-21(16(2)25-26)19(23(27)28-3)13-20(24-22)18-7-5-4-6-8-18/h4-13H,14H2,1-3H3
InChIKeyHUVJILQBARDCEL-UHFFFAOYSA-N
XLogP4.55
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-benzyl-6-(3-bromophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497952
methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585703
methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585747
1-[[4-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 118424720
methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497977
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19501633
3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620009
ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 118423479
1-benzyl-3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497825
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 29091596
4-[1-benzyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol
CID 135562179

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 25247937) is methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2Cc1ccc(C)cc1.
What is the InChIKey of methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is HUVJILQBARDCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-9-11-17(12-10-15)14-26-22-21(16(2)25-26)19(23(27)28-3)13-20(24-22)18-7-5-4-6-8-18/h4-13H,14H2,1-3H3.
What are the key properties of methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 25247937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).