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

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Related Compounds

N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 46886342
N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 59797224
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 59797339
N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 89362770
N-(5-ethyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619581
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619985
3-[2-(4-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72564465
3-[3-fluoro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enoic acid
CID 76907775
N-[3-[(E)-2-[3-(cyclopentylcarbamoylamino)phenyl]ethenyl]-6-methyl-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 89362735
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768

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).