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

C18H17BrN4O — CID 10287309

IUPACN-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccccc3)c(Br)cc12)C1CCCC1
InChIInChI=1S/C18H17BrN4O/c19-14-10-13-16(20-15(14)11-6-2-1-3-7-11)22-23-17(13)21-18(24)12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9H2,(H2,20,21,22,23,24)
InChIKeyHEFMGTUWKSMOGM-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.52
Rot. Bonds3

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

N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide (PubChem CID 10287309) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide
PubChem CID10287309
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC NameN-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccccc3)c(Br)cc12)C1CCCC1
InChIInChI=1S/C18H17BrN4O/c19-14-10-13-16(20-15(14)11-6-2-1-3-7-11)22-23-17(13)21-18(24)12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9H2,(H2,20,21,22,23,24)
InChIKeyHEFMGTUWKSMOGM-UHFFFAOYSA-N
XLogP4.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide (CID 10287309) is N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide is O=C(Nc1n[nH]c2nc(-c3ccccc3)c(Br)cc12)C1CCCC1.
What is the InChIKey of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
The InChIKey is HEFMGTUWKSMOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c19-14-10-13-16(20-15(14)11-6-2-1-3-7-11)22-23-17(13)21-18(24)12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9H2,(H2,20,21,22,23,24).
What are the key properties of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide has a molecular weight of 385.27 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 10287309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).