(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone

C18H26N6O — CID 134798658

IUPAC(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
SMILESCCN1CCN(C(=O)C2CCCN(c3ccnc4ccnn34)C2)CC1
InChIInChI=1S/C18H26N6O/c1-2-21-10-12-22(13-11-21)18(25)15-4-3-9-23(14-15)17-6-7-19-16-5-8-20-24(16)17/h5-8,15H,2-4,9-14H2,1H3
InChIKeyFTHIHYVQMISEHY-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.11
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone

(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone (PubChem CID 134798658) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
PubChem CID134798658
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
SMILESCCN1CCN(C(=O)C2CCCN(c3ccnc4ccnn34)C2)CC1
InChIInChI=1S/C18H26N6O/c1-2-21-10-12-22(13-11-21)18(25)15-4-3-9-23(14-15)17-6-7-19-16-5-8-20-24(16)17/h5-8,15H,2-4,9-14H2,1H3
InChIKeyFTHIHYVQMISEHY-UHFFFAOYSA-N
XLogP1.11
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797898
[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95723617
N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134796592
[(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 95101116
[(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 92746923
N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
CID 134795993
(1-pyrimidin-2-ylpiperidin-3-yl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850146
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 92889606
cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone
CID 56885348
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 42952994
1-[(3S)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one
CID 97203838
(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 95863277

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone (CID 134798658) is (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone is CCN1CCN(C(=O)C2CCCN(c3ccnc4ccnn34)C2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
The InChIKey is FTHIHYVQMISEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-2-21-10-12-22(13-11-21)18(25)15-4-3-9-23(14-15)17-6-7-19-16-5-8-20-24(16)17/h5-8,15H,2-4,9-14H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone?
(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone has a molecular weight of 342.45 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 134798658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).