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

C19H23N5O3 — CID 55783949

IUPACN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3C)cn1
InChIInChI=1S/C19H23N5O3/c1-12-9-15(17-13(2)23-24(3)18(17)22-12)19(25)21-11-14-5-6-16(20-10-14)27-8-7-26-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,25)
InChIKeyTWSJBCBTZCIOIP-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.94
Rot. Bonds7

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

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55783949) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55783949
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3C)cn1
InChIInChI=1S/C19H23N5O3/c1-12-9-15(17-13(2)23-24(3)18(17)22-12)19(25)21-11-14-5-6-16(20-10-14)27-8-7-26-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,25)
InChIKeyTWSJBCBTZCIOIP-UHFFFAOYSA-N
XLogP1.94
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621872
N-[(3-chlorophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46514405
1,3,6-trimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46456457
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31757976
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675
N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38285036
N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245066
N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35522172
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622213

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 55783949) is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is COCCOc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3C)cn1.
What is the InChIKey of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is TWSJBCBTZCIOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-9-15(17-13(2)23-24(3)18(17)22-12)19(25)21-11-14-5-6-16(20-10-14)27-8-7-26-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,25).
What are the key properties of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55783949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).