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

C16H13BrN4O — CID 6539578

IUPACN-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccccc3)c(Br)cc12)C1CC1
InChIInChI=1S/C16H13BrN4O/c17-12-8-11-14(18-13(12)9-4-2-1-3-5-9)20-21-15(11)19-16(22)10-6-7-10/h1-5,8,10H,6-7H2,(H2,18,19,20,21,22)
InChIKeyRPSIDICSSBFGPU-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.74
Rot. Bonds3

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

N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide (PubChem CID 6539578) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
PubChem CID6539578
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC NameN-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccccc3)c(Br)cc12)C1CC1
InChIInChI=1S/C16H13BrN4O/c17-12-8-11-14(18-13(12)9-4-2-1-3-5-9)20-21-15(11)19-16(22)10-6-7-10/h1-5,8,10H,6-7H2,(H2,18,19,20,21,22)
InChIKeyRPSIDICSSBFGPU-UHFFFAOYSA-N
XLogP3.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.74
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)cyclopropanecarboxamide?
The IUPAC name of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide (CID 6539578) is N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide is O=C(Nc1n[nH]c2nc(-c3ccccc3)c(Br)cc12)C1CC1.
What is the InChIKey of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
The InChIKey is RPSIDICSSBFGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c17-12-8-11-14(18-13(12)9-4-2-1-3-5-9)20-21-15(11)19-16(22)10-6-7-10/h1-5,8,10H,6-7H2,(H2,18,19,20,21,22).
What are the key properties of N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide has a molecular weight of 357.21 g/mol, XLogP of 3.74, 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)cyclopropanecarboxamide is sourced from PubChem (CID 6539578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).