N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C16H15ClN4O2 — CID 136529821

IUPACN-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccccc2Cl)cnc2c1cnn2C
InChIInChI=1S/C16H15ClN4O2/c1-21-15-11(9-20-21)14(23-2)12(8-18-15)16(22)19-7-10-5-3-4-6-13(10)17/h3-6,8-9H,7H2,1-2H3,(H,19,22)
InChIKeyMSZRKKCDMZNDAU-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.56
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 136529821) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID136529821
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccccc2Cl)cnc2c1cnn2C
InChIInChI=1S/C16H15ClN4O2/c1-21-15-11(9-20-21)14(23-2)12(8-18-15)16(22)19-7-10-5-3-4-6-13(10)17/h3-6,8-9H,7H2,1-2H3,(H,19,22)
InChIKeyMSZRKKCDMZNDAU-UHFFFAOYSA-N
XLogP2.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803462
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-4-(4-methylanilino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 50826689
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 26022125
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
N-[(2,3-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55583480
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517821
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20886299
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 42010194
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51272109
N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789226

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 136529821) is N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1c(C(=O)NCc2ccccc2Cl)cnc2c1cnn2C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is MSZRKKCDMZNDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-21-15-11(9-20-21)14(23-2)12(8-18-15)16(22)19-7-10-5-3-4-6-13(10)17/h3-6,8-9H,7H2,1-2H3,(H,19,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 136529821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).