N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C15H13ClN4O — CID 46883896

IUPACN-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCn1ncc2c(Cl)c(C(=O)NCc3ccccc3)cnc21
InChIInChI=1S/C15H13ClN4O/c1-20-14-11(9-19-20)13(16)12(8-17-14)15(21)18-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,18,21)
InChIKeyNZWMGVYGGYAWCY-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.55
Rot. Bonds3

About N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46883896) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46883896
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCn1ncc2c(Cl)c(C(=O)NCc3ccccc3)cnc21
InChIInChI=1S/C15H13ClN4O/c1-20-14-11(9-19-20)13(16)12(8-17-14)15(21)18-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,18,21)
InChIKeyNZWMGVYGGYAWCY-UHFFFAOYSA-N
XLogP2.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46883896) is N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is Cn1ncc2c(Cl)c(C(=O)NCc3ccccc3)cnc21.
What is the InChIKey of N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is NZWMGVYGGYAWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-20-14-11(9-19-20)13(16)12(8-17-14)15(21)18-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,18,21).
What are the key properties of N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46883896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).