N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide

C18H14N4OS — CID 135316050

IUPACN-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc3n[nH]c(-c4ccsc4)c23)cc1
InChIInChI=1S/C18H14N4OS/c1-11(23)20-14-4-2-12(3-5-14)15-6-8-19-18-16(15)17(21-22-18)13-7-9-24-10-13/h2-10H,1H3,(H,20,23)(H,19,21,22)
InChIKeyILTGPKXTTOFGSD-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.31
Rot. Bonds3

About N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide

N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide (PubChem CID 135316050) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide
PubChem CID135316050
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc3n[nH]c(-c4ccsc4)c23)cc1
InChIInChI=1S/C18H14N4OS/c1-11(23)20-14-4-2-12(3-5-14)15-6-8-19-18-16(15)17(21-22-18)13-7-9-24-10-13/h2-10H,1H3,(H,20,23)(H,19,21,22)
InChIKeyILTGPKXTTOFGSD-UHFFFAOYSA-N
XLogP4.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide (CID 135316050) is N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc3n[nH]c(-c4ccsc4)c23)cc1.
What is the InChIKey of N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide?
The InChIKey is ILTGPKXTTOFGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-11(23)20-14-4-2-12(3-5-14)15-6-8-19-18-16(15)17(21-22-18)13-7-9-24-10-13/h2-10H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide?
N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide is sourced from PubChem (CID 135316050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).