N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide

C18H26N6O — CID 42099685

IUPACN-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCn1ncc2c(N3CCCCC3)ncnc21)C1CCCC1
InChIInChI=1S/C18H26N6O/c25-18(14-6-2-3-7-14)19-8-11-24-17-15(12-22-24)16(20-13-21-17)23-9-4-1-5-10-23/h12-14H,1-11H2,(H,19,25)
InChIKeyIJMQUWRQENGIFG-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide

N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide (PubChem CID 42099685) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide
PubChem CID42099685
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCn1ncc2c(N3CCCCC3)ncnc21)C1CCCC1
InChIInChI=1S/C18H26N6O/c25-18(14-6-2-3-7-14)19-8-11-24-17-15(12-22-24)16(20-13-21-17)23-9-4-1-5-10-23/h12-14H,1-11H2,(H,19,25)
InChIKeyIJMQUWRQENGIFG-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(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-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 71223095
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4,4-difluorocyclohexanecarbox-amide maleate
CID 71223100
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)-1-adamantylcarboxamide maleate
CID 71223247

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide (CID 42099685) is N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide is O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)C1CCCC1.
What is the InChIKey of N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is IJMQUWRQENGIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c25-18(14-6-2-3-7-14)19-8-11-24-17-15(12-22-24)16(20-13-21-17)23-9-4-1-5-10-23/h12-14H,1-11H2,(H,19,25).
What are the key properties of N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide?
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 42099685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).