N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide

C20H15FN4OS — CID 59797033

IUPACN-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H15FN4OS/c21-14-6-3-13(4-7-14)5-8-16-20-17(25-24-16)9-10-18(23-20)22-19(26)12-15-2-1-11-27-15/h1-11H,12H2,(H,24,25)(H,22,23,26)/b8-5+
InChIKeyCJMFDAVWNPDNHD-VMPITWQZSA-N
MW378.43 g/mol
LogP4.51
Rot. Bonds5

About N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide

N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 59797033) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide
PubChem CID59797033
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H15FN4OS/c21-14-6-3-13(4-7-14)5-8-16-20-17(25-24-16)9-10-18(23-20)22-19(26)12-15-2-1-11-27-15/h1-11H,12H2,(H,24,25)(H,22,23,26)/b8-5+
InChIKeyCJMFDAVWNPDNHD-VMPITWQZSA-N
XLogP4.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide 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-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide (CID 59797033) is N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2n1.
What is the InChIKey of N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is CJMFDAVWNPDNHD-VMPITWQZSA-N. The full InChI is InChI=1S/C20H15FN4OS/c21-14-6-3-13(4-7-14)5-8-16-20-17(25-24-16)9-10-18(23-20)22-19(26)12-15-2-1-11-27-15/h1-11H,12H2,(H,24,25)(H,22,23,26)/b8-5+.
What are the key properties of N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide?
N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 378.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 59797033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).