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

C15H14BrN5OS — CID 6539613

IUPACN-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3nccs3)c(Br)cc12)C1CCCC1
InChIInChI=1S/C15H14BrN5OS/c16-10-7-9-12(18-11(10)15-17-5-6-23-15)20-21-13(9)19-14(22)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21,22)
InChIKeySNFNRLLKLGNUTL-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.97
Rot. Bonds3

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

N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide (PubChem CID 6539613) has the molecular formula C15H14BrN5OS and a molecular weight of 392.28 g/mol. Its IUPAC name is N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide
PubChem CID6539613
Molecular FormulaC15H14BrN5OS
Molecular Weight392.28 g/mol
Exact Mass391.01
IUPAC NameN-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3nccs3)c(Br)cc12)C1CCCC1
InChIInChI=1S/C15H14BrN5OS/c16-10-7-9-12(18-11(10)15-17-5-6-23-15)20-21-13(9)19-14(22)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21,22)
InChIKeySNFNRLLKLGNUTL-UHFFFAOYSA-N
XLogP3.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
CID 10195021
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CID 10286967
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
(3R)-1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide
CID 101338283
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065189
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
N-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropanecarboxamide
CID 144598761
N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
N-[6-(4-phenylphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 44586802

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide (CID 6539613) is N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide is O=C(Nc1n[nH]c2nc(-c3nccs3)c(Br)cc12)C1CCCC1.
What is the InChIKey of N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide?
The InChIKey is SNFNRLLKLGNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5OS/c16-10-7-9-12(18-11(10)15-17-5-6-23-15)20-21-13(9)19-14(22)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21,22).
What are the key properties of N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide?
N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide has a molecular weight of 392.28 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 6539613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).