N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C17H15N5O — CID 42160130

IUPACN-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3cccc(C#N)c3)cnc21
InChIInChI=1S/C17H15N5O/c1-11(2)22-16-13(10-20-22)7-14(9-19-16)17(23)21-15-5-3-4-12(6-15)8-18/h3-7,9-11H,1-2H3,(H,21,23)
InChIKeyNIWWSUWAVFMACG-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.14
Rot. Bonds3

About N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 42160130) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID42160130
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)Nc3cccc(C#N)c3)cnc21
InChIInChI=1S/C17H15N5O/c1-11(2)22-16-13(10-20-22)7-14(9-19-16)17(23)21-15-5-3-4-12(6-15)8-18/h3-7,9-11H,1-2H3,(H,21,23)
InChIKeyNIWWSUWAVFMACG-UHFFFAOYSA-N
XLogP3.14
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42158243
N-[3-(diethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 33225377
N-[3-(2-ethoxyethoxymethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55806770
N-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17462153
(2-chloro-4-cyanophenyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 18132685
2-methyl-3-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]propanoic acid
CID 120541413
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956441
ethyl 5-methyl-1-[3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate
CID 33254821
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581596
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 167884691
N-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24601888
N-(3-benzyl-4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586217

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 42160130) is N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)Nc3cccc(C#N)c3)cnc21.
What is the InChIKey of N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is NIWWSUWAVFMACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11(2)22-16-13(10-20-22)7-14(9-19-16)17(23)21-15-5-3-4-12(6-15)8-18/h3-7,9-11H,1-2H3,(H,21,23).
What are the key properties of N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 42160130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).