6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H24N6O2 — CID 78866558

IUPAC6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1
InChIInChI=1S/C21H24N6O2/c1-13(2)27-20-15(11-23-27)10-18(14(3)24-20)21(29)25-16-4-6-17(7-5-16)26-9-8-22-19(28)12-26/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,28)(H,25,29)
InChIKeyWYOPQVZJZGPIHN-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.51
Rot. Bonds4

About 6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 78866558) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID78866558
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1
InChIInChI=1S/C21H24N6O2/c1-13(2)27-20-15(11-23-27)10-18(14(3)24-20)21(29)25-16-4-6-17(7-5-16)26-9-8-22-19(28)12-26/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,28)(H,25,29)
InChIKeyWYOPQVZJZGPIHN-UHFFFAOYSA-N
XLogP2.51
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 78866558) is 6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1.
What is the InChIKey of 6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WYOPQVZJZGPIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13(2)27-20-15(11-23-27)10-18(14(3)24-20)21(29)25-16-4-6-17(7-5-16)26-9-8-22-19(28)12-26/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,28)(H,25,29).
What are the key properties of 6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78866558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).