N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C16H16N4O2 — CID 78845162

IUPACN-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCc3ccc(O)cc3)cc12
InChIInChI=1S/C16H16N4O2/c1-10-14-7-12(9-17-15(14)20(2)19-10)16(22)18-8-11-3-5-13(21)6-4-11/h3-7,9,21H,8H2,1-2H3,(H,18,22)
InChIKeyBVBIOSFUGMDVLT-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.91
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78845162) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78845162
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCc3ccc(O)cc3)cc12
InChIInChI=1S/C16H16N4O2/c1-10-14-7-12(9-17-15(14)20(2)19-10)16(22)18-8-11-3-5-13(21)6-4-11/h3-7,9,21H,8H2,1-2H3,(H,18,22)
InChIKeyBVBIOSFUGMDVLT-UHFFFAOYSA-N
XLogP1.91
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 99702094
4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
CID 115603275
1,3-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34644381
1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31344415
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 66168311
N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 107362564
2-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533359
N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 109380798

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 78845162) is N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NCc3ccc(O)cc3)cc12.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is BVBIOSFUGMDVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-14-7-12(9-17-15(14)20(2)19-10)16(22)18-8-11-3-5-13(21)6-4-11/h3-7,9,21H,8H2,1-2H3,(H,18,22).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78845162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).