N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide

C16H16N4O — CID 6539526

IUPACN-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cnc(-c3ccccc3)cc12
InChIInChI=1S/C16H16N4O/c1-2-6-15(21)18-16-12-9-13(11-7-4-3-5-8-11)17-10-14(12)19-20-16/h3-5,7-10H,2,6H2,1H3,(H2,18,19,20,21)
InChIKeyLCFKIGOGPZGTMF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.36
Rot. Bonds4

About N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide

N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide (PubChem CID 6539526) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
PubChem CID6539526
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cnc(-c3ccccc3)cc12
InChIInChI=1S/C16H16N4O/c1-2-6-15(21)18-16-12-9-13(11-7-4-3-5-8-11)17-10-14(12)19-20-16/h3-5,7-10H,2,6H2,1H3,(H2,18,19,20,21)
InChIKeyLCFKIGOGPZGTMF-UHFFFAOYSA-N
XLogP3.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bezuclastinib
CID 75593308
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 6539561
Pyrazolopyridine deriv. 9
CID 6539533
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
CID 6539535
N-[5-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539542
N-(5-Pyridin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)butyramide
CID 6539546
4-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
CID 6539554
N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
CID 90216982
N-[4-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea
CID 11494558
1-[4-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 11495686

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide?
The IUPAC name of N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide (CID 6539526) is N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2cnc(-c3ccccc3)cc12.
What is the InChIKey of N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide?
The InChIKey is LCFKIGOGPZGTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-6-15(21)18-16-12-9-13(11-7-4-3-5-8-11)17-10-14(12)19-20-16/h3-5,7-10H,2,6H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide?
N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide has a molecular weight of 280.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide is sourced from PubChem (CID 6539526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).