(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C16H23N7O — CID 119840114

IUPAC(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCn1ncc2c(N3CCN(C(=O)C4(N)CCCC4)CC3)ncnc21
InChIInChI=1S/C16H23N7O/c1-21-13-12(10-20-21)14(19-11-18-13)22-6-8-23(9-7-22)15(24)16(17)4-2-3-5-16/h10-11H,2-9,17H2,1H3
InChIKeyCEFZVJULXTVYHE-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.28
Rot. Bonds2

About (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 119840114) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID119840114
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCn1ncc2c(N3CCN(C(=O)C4(N)CCCC4)CC3)ncnc21
InChIInChI=1S/C16H23N7O/c1-21-13-12(10-20-21)14(19-11-18-13)22-6-8-23(9-7-22)15(24)16(17)4-2-3-5-16/h10-11H,2-9,17H2,1H3
InChIKeyCEFZVJULXTVYHE-UHFFFAOYSA-N
XLogP0.28
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 119840114) is (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is Cn1ncc2c(N3CCN(C(=O)C4(N)CCCC4)CC3)ncnc21.
What is the InChIKey of (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is CEFZVJULXTVYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-21-13-12(10-20-21)14(19-11-18-13)22-6-8-23(9-7-22)15(24)16(17)4-2-3-5-16/h10-11H,2-9,17H2,1H3.
What are the key properties of (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 329.41 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 119840114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).