6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C20H17N5O3S — CID 31408227

IUPAC6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C20H17N5O3S/c1-12-5-6-14(25(27)28)9-18(12)23-20(26)16-8-13(2)22-19-17(16)10-21-24(19)11-15-4-3-7-29-15/h3-10H,11H2,1-2H3,(H,23,26)
InChIKeyVWPGBKFUIFDIDA-UHFFFAOYSA-N
MW407.46 g/mol
LogP4.32
Rot. Bonds5

About 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 31408227) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID31408227
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C20H17N5O3S/c1-12-5-6-14(25(27)28)9-18(12)23-20(26)16-8-13(2)22-19-17(16)10-21-24(19)11-15-4-3-7-29-15/h3-10H,11H2,1-2H3,(H,23,26)
InChIKeyVWPGBKFUIFDIDA-UHFFFAOYSA-N
XLogP4.32
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide 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

6-methyl-N-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31408232
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
N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78847082
6-methyl-N,1-bis(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32656426
N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55545374
N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55678754
N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55551539
6-methyl-1-(thiophen-2-ylmethyl)-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 36821529
methyl 2-[3-methyl-4-[[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]phenoxy]acetate
CID 55915858
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55847628
6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55554693

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 31408227) is 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is VWPGBKFUIFDIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-12-5-6-14(25(27)28)9-18(12)23-20(26)16-8-13(2)22-19-17(16)10-21-24(19)11-15-4-3-7-29-15/h3-10H,11H2,1-2H3,(H,23,26).
What are the key properties of 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 31408227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).