1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C23H22N4OS — CID 55500881

IUPAC1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C
InChIInChI=1S/C23H22N4OS/c1-4-12-27(15-18-11-8-13-29-18)23(28)19-14-20(17-9-6-5-7-10-17)24-22-21(19)16(2)25-26(22)3/h4-11,13-14H,1,12,15H2,2-3H3
InChIKeyCUEPMHUGLBDOIR-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.83
Rot. Bonds6

About 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55500881) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55500881
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C
InChIInChI=1S/C23H22N4OS/c1-4-12-27(15-18-11-8-13-29-18)23(28)19-14-20(17-9-6-5-7-10-17)24-22-21(19)16(2)25-26(22)3/h4-11,13-14H,1,12,15H2,2-3H3
InChIKeyCUEPMHUGLBDOIR-UHFFFAOYSA-N
XLogP4.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-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

1,3-dimethyl-N-phenyl-N-prop-2-enyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55551064
N,N-bis(2-methoxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535167
1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 35337685
6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18150928
N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55502784
3-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]propanoic acid
CID 120516645
N,1,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26021949
[2-(diethylamino)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509351
N-(2-methoxyethyl)-1,3-dimethyl-N-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32954817
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30926063
3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520164
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55500881) is 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C.
What is the InChIKey of 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CUEPMHUGLBDOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-4-12-27(15-18-11-8-13-29-18)23(28)19-14-20(17-9-6-5-7-10-17)24-22-21(19)16(2)25-26(22)3/h4-11,13-14H,1,12,15H2,2-3H3.
What are the key properties of 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55500881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).