N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide

C14H11BrN4OS — CID 6539588

IUPACN-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3cccs3)c(Br)cc12)C1CC1
InChIInChI=1S/C14H11BrN4OS/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
InChIKeyNFLNGTZCZDPIPL-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.80
Rot. Bonds3

About N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide

N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide (PubChem CID 6539588) has the molecular formula C14H11BrN4OS and a molecular weight of 363.24 g/mol. Its IUPAC name is N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
PubChem CID6539588
Molecular FormulaC14H11BrN4OS
Molecular Weight363.24 g/mol
Exact Mass361.98
IUPAC NameN-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3cccs3)c(Br)cc12)C1CC1
InChIInChI=1S/C14H11BrN4OS/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
InChIKeyNFLNGTZCZDPIPL-UHFFFAOYSA-N
XLogP3.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide 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-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide (CID 6539588) is N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide is O=C(Nc1n[nH]c2nc(-c3cccs3)c(Br)cc12)C1CC1.
What is the InChIKey of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
The InChIKey is NFLNGTZCZDPIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4OS/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20).
What are the key properties of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide has a molecular weight of 363.24 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 6539588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).