N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide

C19H21ClN4O4 — CID 26433729

IUPACN-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nn(C)c3nc(C)c(Cl)c(C)c23)cc(OC)c1OC
InChIInChI=1S/C19H21ClN4O4/c1-9-14-17(23-24(3)18(14)21-10(2)15(9)20)22-19(25)11-7-12(26-4)16(28-6)13(8-11)27-5/h7-8H,1-6H3,(H,22,23,25)
InChIKeyQPQDAHXSWHGQFR-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.52
Rot. Bonds5

About N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide

N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide (PubChem CID 26433729) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide
PubChem CID26433729
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC NameN-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nn(C)c3nc(C)c(Cl)c(C)c23)cc(OC)c1OC
InChIInChI=1S/C19H21ClN4O4/c1-9-14-17(23-24(3)18(14)21-10(2)15(9)20)22-19(25)11-7-12(26-4)16(28-6)13(8-11)27-5/h7-8H,1-6H3,(H,22,23,25)
InChIKeyQPQDAHXSWHGQFR-UHFFFAOYSA-N
XLogP3.52
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
CID 35180458
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 25283142
3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide
CID 51334534
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 4246879
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
3,4,5-trimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112526
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135520809
3-methyl-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
CID 91710473
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4069940
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide (CID 26433729) is N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2nn(C)c3nc(C)c(Cl)c(C)c23)cc(OC)c1OC.
What is the InChIKey of N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is QPQDAHXSWHGQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-9-14-17(23-24(3)18(14)21-10(2)15(9)20)22-19(25)11-7-12(26-4)16(28-6)13(8-11)27-5/h7-8H,1-6H3,(H,22,23,25).
What are the key properties of N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide?
N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 404.85 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 26433729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).