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

C18H26N6O — CID 56891029

IUPACcyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCCc1nc(NCC2CCCN(C(=O)C3CC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C18H26N6O/c1-3-15-21-16(14-10-20-23(2)17(14)22-15)19-9-12-5-4-8-24(11-12)18(25)13-6-7-13/h10,12-13H,3-9,11H2,1-2H3,(H,19,21,22)
InChIKeyLCYZGNMNJLNKGT-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.99
Rot. Bonds5

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

cyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 56891029) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is cyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID56891029
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Namecyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCCc1nc(NCC2CCCN(C(=O)C3CC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C18H26N6O/c1-3-15-21-16(14-10-20-23(2)17(14)22-15)19-9-12-5-4-8-24(11-12)18(25)13-6-7-13/h10,12-13H,3-9,11H2,1-2H3,(H,19,21,22)
InChIKeyLCYZGNMNJLNKGT-UHFFFAOYSA-N
XLogP1.99
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222985
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222995
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223000
N-(1-(4-(azepan-1-yl)butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223161
1-Ethyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223168
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223185
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,2,3,3-tetramethylcyclopropane-carboxamide citrate
CID 71223204
1-Cyclopentyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223206
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71223208
N-(1-(2-(Piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223252
N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclobutanecarboxamide
CID 71223393
N-(1-(3-(azepan-1-yl)propyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223397

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone (CID 56891029) is cyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone is CCc1nc(NCC2CCCN(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]methyl]piperidin-1-yl]methanone?
The InChIKey is LCYZGNMNJLNKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-3-15-21-16(14-10-20-23(2)17(14)22-15)19-9-12-5-4-8-24(11-12)18(25)13-6-7-13/h10,12-13H,3-9,11H2,1-2H3,(H,19,21,22).
What are the key properties of cyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone?
cyclopropyl-[3-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 342.45 g/mol, XLogP of 1.99, 5 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]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56891029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).