2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide

C17H20N8O — CID 67161145

IUPAC2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCc1[nH]nc2ncnc(N3CCN(c4ncccc4C(N)=O)CC3)c12
InChIInChI=1S/C17H20N8O/c1-2-12-13-15(23-22-12)20-10-21-17(13)25-8-6-24(7-9-25)16-11(14(18)26)4-3-5-19-16/h3-5,10H,2,6-9H2,1H3,(H2,18,26)(H,20,21,22,23)
InChIKeyACYZJWLNTOYYEJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.74
Rot. Bonds4

About 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 67161145) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID67161145
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCc1[nH]nc2ncnc(N3CCN(c4ncccc4C(N)=O)CC3)c12
InChIInChI=1S/C17H20N8O/c1-2-12-13-15(23-22-12)20-10-21-17(13)25-8-6-24(7-9-25)16-11(14(18)26)4-3-5-19-16/h3-5,10H,2,6-9H2,1H3,(H2,18,26)(H,20,21,22,23)
InChIKeyACYZJWLNTOYYEJ-UHFFFAOYSA-N
XLogP0.74
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631
ethyl 4-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 67162743
2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 154822358
2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 132968653
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
2-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 86805748
2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide
CID 63343846
2-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 75438560
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxamide
CID 10026785
2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 30756321

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide (CID 67161145) is 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide is CCc1[nH]nc2ncnc(N3CCN(c4ncccc4C(N)=O)CC3)c12.
What is the InChIKey of 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is ACYZJWLNTOYYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-2-12-13-15(23-22-12)20-10-21-17(13)25-8-6-24(7-9-25)16-11(14(18)26)4-3-5-19-16/h3-5,10H,2,6-9H2,1H3,(H2,18,26)(H,20,21,22,23).
What are the key properties of 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67161145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).