N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide

C20H17N5O — CID 166339325

IUPACN-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3cc(Cc4ccccc4)ccn3)ccnc21
InChIInChI=1S/C20H17N5O/c1-25-19-17(13-23-25)16(8-10-22-19)20(26)24-18-12-15(7-9-21-18)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,21,24,26)
InChIKeyIOFSPUWFYOCSLQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.21
Rot. Bonds4

About N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 166339325) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID166339325
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3cc(Cc4ccccc4)ccn3)ccnc21
InChIInChI=1S/C20H17N5O/c1-25-19-17(13-23-25)16(8-10-22-19)20(26)24-18-12-15(7-9-21-18)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,21,24,26)
InChIKeyIOFSPUWFYOCSLQ-UHFFFAOYSA-N
XLogP3.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 166339325) is N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)Nc3cc(Cc4ccccc4)ccn3)ccnc21.
What is the InChIKey of N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is IOFSPUWFYOCSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25-19-17(13-23-25)16(8-10-22-19)20(26)24-18-12-15(7-9-21-18)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,21,24,26).
What are the key properties of N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-2-pyridinyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166339325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).