N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide

C18H27N7O — CID 56915370

IUPACN-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESCCc1nc(NC2CCN(CC(=O)NC3CC3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C18H27N7O/c1-3-15-22-17(14-10-19-24(2)18(14)23-15)21-13-6-8-25(9-7-13)11-16(26)20-12-4-5-12/h10,12-13H,3-9,11H2,1-2H3,(H,20,26)(H,21,22,23)
InChIKeyXNLLIZRNFYGGJK-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.08
Rot. Bonds6

About N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide

N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 56915370) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID56915370
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESCCc1nc(NC2CCN(CC(=O)NC3CC3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C18H27N7O/c1-3-15-22-17(14-10-19-24(2)18(14)23-15)21-13-6-8-25(9-7-13)11-16(26)20-12-4-5-12/h10,12-13H,3-9,11H2,1-2H3,(H,20,26)(H,21,22,23)
InChIKeyXNLLIZRNFYGGJK-UHFFFAOYSA-N
XLogP1.08
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide with MolForge

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Related Compounds

1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-butylurea hydrochloride
CID 71222835
N-(1-(2-(Diisopropylamino)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide hydrochloride
CID 71223119
1-Ethyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223168
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
1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-tert-butylurea hydrochloride
CID 71223250
N-(1-(2-(Piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223252
1-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-ethylurea hydrochloride
CID 71223262
1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-isopropylurea hydrochloride
CID 71223296
1-Cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
CID 71223407
1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-propylurea maleate
CID 71223439
1-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-cyclohexylurea hydrochloride
CID 71223454

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide (CID 56915370) is N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide is CCc1nc(NC2CCN(CC(=O)NC3CC3)CC2)c2cnn(C)c2n1.
What is the InChIKey of N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is XNLLIZRNFYGGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-3-15-22-17(14-10-19-24(2)18(14)23-15)21-13-6-8-25(9-7-13)11-16(26)20-12-4-5-12/h10,12-13H,3-9,11H2,1-2H3,(H,20,26)(H,21,22,23).
What are the key properties of N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 357.46 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 56915370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).