N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C20H19N5O2S — CID 55678754

IUPACN-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCOc1ncccc1NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1
InChIInChI=1S/C20H19N5O2S/c1-3-27-20-17(7-4-8-21-20)24-19(26)15-10-13(2)23-18-16(15)11-22-25(18)12-14-6-5-9-28-14/h4-11H,3,12H2,1-2H3,(H,24,26)
InChIKeyUVVDWOPXPYXDIW-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.90
Rot. Bonds6

About N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55678754) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55678754
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCOc1ncccc1NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1
InChIInChI=1S/C20H19N5O2S/c1-3-27-20-17(7-4-8-21-20)24-19(26)15-10-13(2)23-18-16(15)11-22-25(18)12-14-6-5-9-28-14/h4-11H,3,12H2,1-2H3,(H,24,26)
InChIKeyUVVDWOPXPYXDIW-UHFFFAOYSA-N
XLogP3.90
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55545378
6-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55660500
6-methyl-N,1-bis(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32656426
methyl 2-[3-methyl-4-[[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]phenoxy]acetate
CID 55915858
N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55545374
6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31408227
N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55551539
N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78847082
6-methyl-1-(thiophen-2-ylmethyl)-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 36821529
N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55554757
6-methyl-N-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31408232
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55847628

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55678754) is N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is CCOc1ncccc1NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1.
What is the InChIKey of N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is UVVDWOPXPYXDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-3-27-20-17(7-4-8-21-20)24-19(26)15-10-13(2)23-18-16(15)11-22-25(18)12-14-6-5-9-28-14/h4-11H,3,12H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55678754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).