N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C17H12N6O — CID 162653919

IUPACN,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1[nH]nc2ncc(-c3cccnc3)cc12
InChIInChI=1S/C17H12N6O/c24-17(21-13-4-2-6-19-10-13)15-14-7-12(9-20-16(14)23-22-15)11-3-1-5-18-8-11/h1-10H,(H,21,24)(H,20,22,23)
InChIKeyCDMSDNMTTKWFNB-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.67
Rot. Bonds3

About N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 162653919) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID162653919
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC NameN,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1[nH]nc2ncc(-c3cccnc3)cc12
InChIInChI=1S/C17H12N6O/c24-17(21-13-4-2-6-19-10-13)15-14-7-12(9-20-16(14)23-22-15)11-3-1-5-18-8-11/h1-10H,(H,21,24)(H,20,22,23)
InChIKeyCDMSDNMTTKWFNB-UHFFFAOYSA-N
XLogP2.67
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 162653919) is N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is O=C(Nc1cccnc1)c1[nH]nc2ncc(-c3cccnc3)cc12.
What is the InChIKey of N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is CDMSDNMTTKWFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c24-17(21-13-4-2-6-19-10-13)15-14-7-12(9-20-16(14)23-22-15)11-3-1-5-18-8-11/h1-10H,(H,21,24)(H,20,22,23).
What are the key properties of N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dipyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 162653919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).