2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide

C17H26N6O2 — CID 51095654

IUPAC2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(C(C)CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1
InChIInChI=1S/C17H26N6O2/c1-12-4-6-22(7-5-12)13(2)8-18-15(24)10-23-11-19-16-14(17(23)25)9-20-21(16)3/h9,11-13H,4-8,10H2,1-3H3,(H,18,24)
InChIKeyCAVNVONICCPLAL-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.37
Rot. Bonds5

About 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide

2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 51095654) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID51095654
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(C(C)CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1
InChIInChI=1S/C17H26N6O2/c1-12-4-6-22(7-5-12)13(2)8-18-15(24)10-23-11-19-16-14(17(23)25)9-20-21(16)3/h9,11-13H,4-8,10H2,1-3H3,(H,18,24)
InChIKeyCAVNVONICCPLAL-UHFFFAOYSA-N
XLogP0.37
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 39947293
N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52516514
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 92614239
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24644271
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47017749
N-(6-methylheptan-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24629017
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 95167734
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 18152736
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47025846
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17446665
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide (CID 51095654) is 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide is CC1CCN(C(C)CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1.
What is the InChIKey of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is CAVNVONICCPLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-12-4-6-22(7-5-12)13(2)8-18-15(24)10-23-11-19-16-14(17(23)25)9-20-21(16)3/h9,11-13H,4-8,10H2,1-3H3,(H,18,24).
What are the key properties of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 51095654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).