N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide

C16H20N8O — CID 99841338

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide
SMILESCNc1ncnc2c1cnn2CC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H20N8O/c1-17-15-12-8-21-23(16(12)19-10-18-15)9-14(25)22-13-6-7-20-24(13)11-4-2-3-5-11/h6-8,10-11H,2-5,9H2,1H3,(H,22,25)(H,17,18,19)
InChIKeyMISFBHVRJCDOFQ-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.82
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide (PubChem CID 99841338) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide
PubChem CID99841338
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide
SMILESCNc1ncnc2c1cnn2CC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H20N8O/c1-17-15-12-8-21-23(16(12)19-10-18-15)9-14(25)22-13-6-7-20-24(13)11-4-2-3-5-11/h6-8,10-11H,2-5,9H2,1H3,(H,22,25)(H,17,18,19)
InChIKeyMISFBHVRJCDOFQ-UHFFFAOYSA-N
XLogP1.82
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide (CID 99841338) is N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide is CNc1ncnc2c1cnn2CC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide?
The InChIKey is MISFBHVRJCDOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-17-15-12-8-21-23(16(12)19-10-18-15)9-14(25)22-13-6-7-20-24(13)11-4-2-3-5-11/h6-8,10-11H,2-5,9H2,1H3,(H,22,25)(H,17,18,19).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 340.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 99841338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).