N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H25N5OS — CID 39861508

IUPACN-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)Cc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H25N5OS/c1-15(2)30-24-22(13-27-30)21(11-23(28-24)20-10-16(3)32-17(20)4)25(31)29(5)14-19-8-6-18(12-26)7-9-19/h6-11,13,15H,14H2,1-5H3
InChIKeyNLCAHLJORKSBCB-UHFFFAOYSA-N
MW443.58 g/mol
LogP5.50
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 39861508) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID39861508
Molecular FormulaC25H25N5OS
Molecular Weight443.58 g/mol
Exact Mass443.18
IUPAC NameN-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)Cc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H25N5OS/c1-15(2)30-24-22(13-27-30)21(11-23(28-24)20-10-16(3)32-17(20)4)25(31)29(5)14-19-8-6-18(12-26)7-9-19/h6-11,13,15H,14H2,1-5H3
InChIKeyNLCAHLJORKSBCB-UHFFFAOYSA-N
XLogP5.50
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.58
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[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

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 39861508) is N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)N(C)Cc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NLCAHLJORKSBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c1-15(2)30-24-22(13-27-30)21(11-23(28-24)20-10-16(3)32-17(20)4)25(31)29(5)14-19-8-6-18(12-26)7-9-19/h6-11,13,15H,14H2,1-5H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 443.58 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39861508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).