N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C19H23N5O2 — CID 47088000

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)c2cc(C)nc3c2c(C)nn3C)c1C
InChIInChI=1S/C19H23N5O2/c1-10-8-20-15(12(3)17(10)26-6)9-21-19(25)14-7-11(2)22-18-16(14)13(4)23-24(18)5/h7-8H,9H2,1-6H3,(H,21,25)
InChIKeyVSAADJXIYBGGSX-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.54
Rot. Bonds4

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 47088000) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID47088000
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)c2cc(C)nc3c2c(C)nn3C)c1C
InChIInChI=1S/C19H23N5O2/c1-10-8-20-15(12(3)17(10)26-6)9-21-19(25)14-7-11(2)22-18-16(14)13(4)23-24(18)5/h7-8H,9H2,1-6H3,(H,21,25)
InChIKeyVSAADJXIYBGGSX-UHFFFAOYSA-N
XLogP2.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 47088000) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is COc1c(C)cnc(CNC(=O)c2cc(C)nc3c2c(C)nn3C)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is VSAADJXIYBGGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-10-8-20-15(12(3)17(10)26-6)9-21-19(25)14-7-11(2)22-18-16(14)13(4)23-24(18)5/h7-8H,9H2,1-6H3,(H,21,25).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47088000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).