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

C17H25N5O2 — CID 30597441

IUPACN-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C17H25N5O2/c1-10(2)15-8-13(17(24)19-7-6-18-12(5)23)14-9-20-22(11(3)4)16(14)21-15/h8-11H,6-7H2,1-5H3,(H,18,23)(H,19,24)
InChIKeyQHPICUYDBHSSHL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.00
Rot. Bonds6

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

N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30597441) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30597441
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C17H25N5O2/c1-10(2)15-8-13(17(24)19-7-6-18-12(5)23)14-9-20-22(11(3)4)16(14)21-15/h8-11H,6-7H2,1-5H3,(H,18,23)(H,19,24)
InChIKeyQHPICUYDBHSSHL-UHFFFAOYSA-N
XLogP2.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32982457
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
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
N-[2-(2-methoxyphenyl)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30446403
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55745026
N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55717877
N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32636840
1,6-di(propan-2-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55657060
N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119504676

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 30597441) is N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(=O)NCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C.
What is the InChIKey of N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QHPICUYDBHSSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10(2)15-8-13(17(24)19-7-6-18-12(5)23)14-9-20-22(11(3)4)16(14)21-15/h8-11H,6-7H2,1-5H3,(H,18,23)(H,19,24).
What are the key properties of N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30597441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).