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

C16H15BrN4OS — CID 6539591

IUPACN-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3cccs3)c(Br)cc12)C1CCCC1
InChIInChI=1S/C16H15BrN4OS/c17-11-8-10-14(18-13(11)12-6-3-7-23-12)20-21-15(10)19-16(22)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,18,19,20,21,22)
InChIKeyWYZXNPCPQURARS-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.58
Rot. Bonds3

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

N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide (PubChem CID 6539591) has the molecular formula C16H15BrN4OS and a molecular weight of 391.29 g/mol. Its IUPAC name is N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide
PubChem CID6539591
Molecular FormulaC16H15BrN4OS
Molecular Weight391.29 g/mol
Exact Mass390.01
IUPAC NameN-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3cccs3)c(Br)cc12)C1CCCC1
InChIInChI=1S/C16H15BrN4OS/c17-11-8-10-14(18-13(11)12-6-3-7-23-12)20-21-15(10)19-16(22)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,18,19,20,21,22)
InChIKeyWYZXNPCPQURARS-UHFFFAOYSA-N
XLogP4.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
CID 6539578
N-[5-bromo-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539588
N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide
CID 6539613
N-[5-bromo-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 6539614
N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 44450492
3-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(thiophen-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135658916
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
CID 55976453
4-(2-ethyl-4-methyl-1H-imidazol-5-yl)-3-(2-thienyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136144186
4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide
CID 175856538
N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide
CID 10287309
N-(4,6-Dimethyl-1H-pyrazolo[3,4-B]pyridin-3-YL)-5-ethyl-3-thiophenecarboxamide
CID 19617193
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 52719539

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide (CID 6539591) is N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide is O=C(Nc1n[nH]c2nc(-c3cccs3)c(Br)cc12)C1CCCC1.
What is the InChIKey of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
The InChIKey is WYZXNPCPQURARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4OS/c17-11-8-10-14(18-13(11)12-6-3-7-23-12)20-21-15(10)19-16(22)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,18,19,20,21,22).
What are the key properties of N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
N-(5-bromo-6-thiophen-2-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide has a molecular weight of 391.29 g/mol, XLogP of 4.58, 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)cyclopentanecarboxamide is sourced from PubChem (CID 6539591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).