N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide

C22H20N4O — CID 6539548

IUPACN-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C22H20N4O/c1-2-6-20(27)24-22-19-13-18(14-23-21(19)25-26-22)17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-14H,2,6H2,1H3,(H2,23,24,25,26,27)
InChIKeyQSXQMPVZQTYTNO-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.03
Rot. Bonds5

About N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide

N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide (PubChem CID 6539548) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
PubChem CID6539548
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C22H20N4O/c1-2-6-20(27)24-22-19-13-18(14-23-21(19)25-26-22)17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-14H,2,6H2,1H3,(H2,23,24,25,26,27)
InChIKeyQSXQMPVZQTYTNO-UHFFFAOYSA-N
XLogP5.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The IUPAC name of N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide (CID 6539548) is N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide.
What is the SMILES notation for N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The canonical SMILES for N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide is CCCC(=O)Nc1[nH]nc2ncc(-c3ccc(-c4ccccc4)cc3)cc12.
What is the InChIKey of N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The InChIKey is QSXQMPVZQTYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-6-20(27)24-22-19-13-18(14-23-21(19)25-26-22)17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-14H,2,6H2,1H3,(H2,23,24,25,26,27).
What are the key properties of N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide has a molecular weight of 356.43 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-phenylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide is sourced from PubChem (CID 6539548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).