N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C21H26N6O — CID 166363863

IUPACN-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCC(C)(CN1CCN(c2ccccc2)CC1)NC(=O)c1[nH]nc2ncccc12
InChIInChI=1S/C21H26N6O/c1-21(2,23-20(28)18-17-9-6-10-22-19(17)25-24-18)15-26-11-13-27(14-12-26)16-7-4-3-5-8-16/h3-10H,11-15H2,1-2H3,(H,23,28)(H,22,24,25)
InChIKeyQVOUNFHHALCGQM-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.29
Rot. Bonds5

About N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 166363863) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID166363863
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCC(C)(CN1CCN(c2ccccc2)CC1)NC(=O)c1[nH]nc2ncccc12
InChIInChI=1S/C21H26N6O/c1-21(2,23-20(28)18-17-9-6-10-22-19(17)25-24-18)15-26-11-13-27(14-12-26)16-7-4-3-5-8-16/h3-10H,11-15H2,1-2H3,(H,23,28)(H,22,24,25)
InChIKeyQVOUNFHHALCGQM-UHFFFAOYSA-N
XLogP2.29
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 79627852
1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
CID 134369259
2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
CID 84662548
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 129127699
(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-phenyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-2-enamide
CID 56602767
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167910121
4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 122556634
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 22687094
[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167808185
N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 86272528

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 166363863) is N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is CC(C)(CN1CCN(c2ccccc2)CC1)NC(=O)c1[nH]nc2ncccc12.
What is the InChIKey of N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is QVOUNFHHALCGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-21(2,23-20(28)18-17-9-6-10-22-19(17)25-24-18)15-26-11-13-27(14-12-26)16-7-4-3-5-8-16/h3-10H,11-15H2,1-2H3,(H,23,28)(H,22,24,25).
What are the key properties of N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 166363863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).