cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone

C17H24N6O — CID 56909416

IUPACcyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCCc1nc(NC2CCCN(C(=O)C3CC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H24N6O/c1-3-14-20-15(13-9-18-22(2)16(13)21-14)19-12-5-4-8-23(10-12)17(24)11-6-7-11/h9,11-12H,3-8,10H2,1-2H3,(H,19,20,21)
InChIKeyAHNZHXPGUQPUIQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.74
Rot. Bonds4

About cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone

cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 56909416) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID56909416
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Namecyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCCc1nc(NC2CCCN(C(=O)C3CC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H24N6O/c1-3-14-20-15(13-9-18-22(2)16(13)21-14)19-12-5-4-8-23(10-12)17(24)11-6-7-11/h9,11-12H,3-8,10H2,1-2H3,(H,19,20,21)
InChIKeyAHNZHXPGUQPUIQ-UHFFFAOYSA-N
XLogP1.74
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone (CID 56909416) is cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone is CCc1nc(NC2CCCN(C(=O)C3CC3)C2)c2cnn(C)c2n1.
What is the InChIKey of cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is AHNZHXPGUQPUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-14-20-15(13-9-18-22(2)16(13)21-14)19-12-5-4-8-23(10-12)17(24)11-6-7-11/h9,11-12H,3-8,10H2,1-2H3,(H,19,20,21).
What are the key properties of cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56909416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).