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

C19H16N4OS — CID 126672859

IUPACN,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccnc3n[nH]c(-c4ccsc4)c23)cc1
InChIInChI=1S/C19H16N4OS/c1-23(2)19(24)13-5-3-12(4-6-13)15-7-9-20-18-16(15)17(21-22-18)14-8-10-25-11-14/h3-11H,1-2H3,(H,20,21,22)
InChIKeyHPBYWNHTPGQFMG-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.06
Rot. Bonds3

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

N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide (PubChem CID 126672859) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
PubChem CID126672859
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccnc3n[nH]c(-c4ccsc4)c23)cc1
InChIInChI=1S/C19H16N4OS/c1-23(2)19(24)13-5-3-12(4-6-13)15-7-9-20-18-16(15)17(21-22-18)14-8-10-25-11-14/h3-11H,1-2H3,(H,20,21,22)
InChIKeyHPBYWNHTPGQFMG-UHFFFAOYSA-N
XLogP4.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide (CID 126672859) is N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide is CN(C)C(=O)c1ccc(-c2ccnc3n[nH]c(-c4ccsc4)c23)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The InChIKey is HPBYWNHTPGQFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-23(2)19(24)13-5-3-12(4-6-13)15-7-9-20-18-16(15)17(21-22-18)14-8-10-25-11-14/h3-11H,1-2H3,(H,20,21,22).
What are the key properties of N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide has a molecular weight of 348.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 126672859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).