4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H19ClN4O — CID 46883841

IUPAC4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(Cl)c(C(=O)NCc3ccc(C)cc3C)cnc21
InChIInChI=1S/C18H19ClN4O/c1-4-23-17-14(10-22-23)16(19)15(9-20-17)18(24)21-8-13-6-5-11(2)7-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H,21,24)
InChIKeyXLMANSLWCIMZAE-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.65
Rot. Bonds4

About 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46883841) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46883841
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(Cl)c(C(=O)NCc3ccc(C)cc3C)cnc21
InChIInChI=1S/C18H19ClN4O/c1-4-23-17-14(10-22-23)16(19)15(9-20-17)18(24)21-8-13-6-5-11(2)7-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H,21,24)
InChIKeyXLMANSLWCIMZAE-UHFFFAOYSA-N
XLogP3.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46883841) is 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(Cl)c(C(=O)NCc3ccc(C)cc3C)cnc21.
What is the InChIKey of 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XLMANSLWCIMZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-4-23-17-14(10-22-23)16(19)15(9-20-17)18(24)21-8-13-6-5-11(2)7-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H,21,24).
What are the key properties of 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46883841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).