1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide

C16H20N8O — CID 171690523

IUPAC1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(c3ncnc4c3ncn4C)C2)cn1
InChIInChI=1S/C16H20N8O/c1-22-10-19-13-14(22)17-9-18-15(13)24-5-3-4-12(8-24)21-16(25)11-6-20-23(2)7-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,21,25)
InChIKeyUYICKILTRMQYSN-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.50
Rot. Bonds3

About 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide

1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 171690523) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide
PubChem CID171690523
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(c3ncnc4c3ncn4C)C2)cn1
InChIInChI=1S/C16H20N8O/c1-22-10-19-13-14(22)17-9-18-15(13)24-5-3-4-12(8-24)21-16(25)11-6-20-23(2)7-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,21,25)
InChIKeyUYICKILTRMQYSN-UHFFFAOYSA-N
XLogP0.50
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-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

N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650599
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993635
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997253
N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993653
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795
1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993320
1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 171996306
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 171994150
6-(azetidin-1-yl)-9-methylpurine
CID 147079717

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide (CID 171690523) is 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCN(c3ncnc4c3ncn4C)C2)cn1.
What is the InChIKey of 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is UYICKILTRMQYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-22-10-19-13-14(22)17-9-18-15(13)24-5-3-4-12(8-24)21-16(25)11-6-20-23(2)7-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,21,25).
What are the key properties of 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 171690523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).