N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C20H28N6O — CID 60551629

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H28N6O/c1-11(2)15-8-13(14-10-21-26(12(3)4)18(14)22-15)19(27)23-17-9-16(24-25-17)20(5,6)7/h8-12H,1-7H3,(H2,23,24,25,27)
InChIKeyZFONUAVVJNKLDQ-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.41
Rot. Bonds4

About N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60551629) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60551629
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H28N6O/c1-11(2)15-8-13(14-10-21-26(12(3)4)18(14)22-15)19(27)23-17-9-16(24-25-17)20(5,6)7/h8-12H,1-7H3,(H2,23,24,25,27)
InChIKeyZFONUAVVJNKLDQ-UHFFFAOYSA-N
XLogP4.41
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N-(1H-indazol-5-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51329679
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30438173
N-(2,4-dimethylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30426277
N-(2-ethyl-2-hydroxybutyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 111463491
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30430326
N-[3-(tert-butylsulfamoyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 43030162
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021617

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 60551629) is N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZFONUAVVJNKLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-11(2)15-8-13(14-10-21-26(12(3)4)18(14)22-15)19(27)23-17-9-16(24-25-17)20(5,6)7/h8-12H,1-7H3,(H2,23,24,25,27).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60551629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).