N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H28N4O — CID 32951263

IUPACN-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3C(C)(C)C)c12
InChIInChI=1S/C22H28N4O/c1-13(2)18-12-15(19-14(3)25-26(7)20(19)23-18)21(27)24-17-11-9-8-10-16(17)22(4,5)6/h8-13H,1-7H3,(H,24,27)
InChIKeyVVVPFIBULPJDOU-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.95
Rot. Bonds3

About N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 32951263) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID32951263
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3C(C)(C)C)c12
InChIInChI=1S/C22H28N4O/c1-13(2)18-12-15(19-14(3)25-26(7)20(19)23-18)21(27)24-17-11-9-8-10-16(17)22(4,5)6/h8-13H,1-7H3,(H,24,27)
InChIKeyVVVPFIBULPJDOU-UHFFFAOYSA-N
XLogP4.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-fluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30386091
N-(2,4-difluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32738959
1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30550990
N-(4-acetylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32758884
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33158849
1,3-dimethyl-6-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38034962
1,3-dimethyl-6-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51338496
1,3-dimethyl-6-propan-2-yl-N-(1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30864364
2-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanediamide
CID 56807591
N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32686520
1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38557450
N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38452878

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 32951263) is N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3C(C)(C)C)c12.
What is the InChIKey of N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VVVPFIBULPJDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-13(2)18-12-15(19-14(3)25-26(7)20(19)23-18)21(27)24-17-11-9-8-10-16(17)22(4,5)6/h8-13H,1-7H3,(H,24,27).
What are the key properties of N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32951263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).