N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C22H32N6O — CID 55745026

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)n1
InChIInChI=1S/C22H32N6O/c1-13(2)20-9-18(19-11-24-28(14(3)4)21(19)25-20)22(29)23-10-15(5)12-27-17(7)8-16(6)26-27/h8-9,11,13-15H,10,12H2,1-7H3,(H,23,29)
InChIKeyHZJDEKZWERHGEU-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.02
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55745026) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55745026
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)n1
InChIInChI=1S/C22H32N6O/c1-13(2)20-9-18(19-11-24-28(14(3)4)21(19)25-20)22(29)23-10-15(5)12-27-17(7)8-16(6)26-27/h8-9,11,13-15H,10,12H2,1-7H3,(H,23,29)
InChIKeyHZJDEKZWERHGEU-UHFFFAOYSA-N
XLogP4.02
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
N-(2-ethyl-2-hydroxybutyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 111463491
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292
1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32982457
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 30434109
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30438173
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55745026) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HZJDEKZWERHGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-13(2)20-9-18(19-11-24-28(14(3)4)21(19)25-20)22(29)23-10-15(5)12-27-17(7)8-16(6)26-27/h8-9,11,13-15H,10,12H2,1-7H3,(H,23,29).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55745026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).