1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

C14H18N6O — CID 122143996

IUPAC1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1
InChIInChI=1S/C14H18N6O/c1-4-12(21)19-5-7-20(8-6-19)14-11-9-15-18(3)13(11)16-10(2)17-14/h4,9H,1,5-8H2,2-3H3
InChIKeyWWRFRYFHNRWKCW-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.51
Rot. Bonds2

About 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 122143996) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
PubChem CID122143996
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1
InChIInChI=1S/C14H18N6O/c1-4-12(21)19-5-7-20(8-6-19)14-11-9-15-18(3)13(11)16-10(2)17-14/h4,9H,1,5-8H2,2-3H3
InChIKeyWWRFRYFHNRWKCW-UHFFFAOYSA-N
XLogP0.51
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

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
N-(1-(2-(Piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223252
N-(1-(3-(piperidin-1-yl)propyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71225577
1-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-propylurea
CID 71225882
N-(1-(2-(4-methyl-1,4-diazepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71225888
1-[3-(4-Amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 118494221
(R)-1-(3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
CID 118692362
1-[(3R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 137655678
1-Methyl-4-(4-methylpiperazinyl)pyrazolo[5,4-d]pyrimidine
CID 2808976
4-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]piperazin-2-one
CID 165415065
1-methyl-6-(4-methylpiperazin-1-yl)-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 29136870

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one (CID 122143996) is 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1.
What is the InChIKey of 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is WWRFRYFHNRWKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-4-12(21)19-5-7-20(8-6-19)14-11-9-15-18(3)13(11)16-10(2)17-14/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one?
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 286.34 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 122143996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).