N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide

C12H8BrN5O — CID 46911330

IUPACN-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide
SMILESO=C(Nc1[nH]nc2ncc(Br)cc12)c1ccccn1
InChIInChI=1S/C12H8BrN5O/c13-7-5-8-10(15-6-7)17-18-11(8)16-12(19)9-3-1-2-4-14-9/h1-6H,(H2,15,16,17,18,19)
InChIKeyQFXRXBITWFIHMG-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.37
Rot. Bonds2

About N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide

N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide (PubChem CID 46911330) has the molecular formula C12H8BrN5O and a molecular weight of 318.13 g/mol. Its IUPAC name is N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide
PubChem CID46911330
Molecular FormulaC12H8BrN5O
Molecular Weight318.13 g/mol
Exact Mass316.99
IUPAC NameN-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide
SMILESO=C(Nc1[nH]nc2ncc(Br)cc12)c1ccccn1
InChIInChI=1S/C12H8BrN5O/c13-7-5-8-10(15-6-7)17-18-11(8)16-12(19)9-3-1-2-4-14-9/h1-6H,(H2,15,16,17,18,19)
InChIKeyQFXRXBITWFIHMG-UHFFFAOYSA-N
XLogP2.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide (CID 46911330) is N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide is O=C(Nc1[nH]nc2ncc(Br)cc12)c1ccccn1.
What is the InChIKey of N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide?
The InChIKey is QFXRXBITWFIHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN5O/c13-7-5-8-10(15-6-7)17-18-11(8)16-12(19)9-3-1-2-4-14-9/h1-6H,(H2,15,16,17,18,19).
What are the key properties of N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide?
N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide has a molecular weight of 318.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 46911330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).