N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C19H22N6O — CID 155955616

IUPACN-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN1CCN(c2cccc(NC(=O)c3cnc4[nH]ncc4c3)c2)CC1
InChIInChI=1S/C19H22N6O/c1-2-24-6-8-25(9-7-24)17-5-3-4-16(11-17)22-19(26)15-10-14-13-21-23-18(14)20-12-15/h3-5,10-13H,2,6-9H2,1H3,(H,22,26)(H,20,21,23)
InChIKeyYYRPYXZNRWJGOS-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.35
Rot. Bonds4

About N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 155955616) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID155955616
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN1CCN(c2cccc(NC(=O)c3cnc4[nH]ncc4c3)c2)CC1
InChIInChI=1S/C19H22N6O/c1-2-24-6-8-25(9-7-24)17-5-3-4-16(11-17)22-19(26)15-10-14-13-21-23-18(14)20-12-15/h3-5,10-13H,2,6-9H2,1H3,(H,22,26)(H,20,21,23)
InChIKeyYYRPYXZNRWJGOS-UHFFFAOYSA-N
XLogP2.35
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 136532249
N-(3-piperidin-1-ylphenyl)-1H-indazole-5-carboxamide
CID 166219800
N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154758
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230708
N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208668
N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208641
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230698
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17495429
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 155955616) is N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CCN1CCN(c2cccc(NC(=O)c3cnc4[nH]ncc4c3)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YYRPYXZNRWJGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-24-6-8-25(9-7-24)17-5-3-4-16(11-17)22-19(26)15-10-14-13-21-23-18(14)20-12-15/h3-5,10-13H,2,6-9H2,1H3,(H,22,26)(H,20,21,23).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 155955616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).