4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one

C12H15ClN6O — CID 64679886

IUPAC4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2nc(Cl)c3cnn(C)c3n2)CC1=O
InChIInChI=1S/C12H15ClN6O/c1-17-3-4-19(7-10(17)20)6-9-15-11(13)8-5-14-18(2)12(8)16-9/h5H,3-4,6-7H2,1-2H3
InChIKeyGNVQWPBCLHTHLO-UHFFFAOYSA-N
MW294.75 g/mol
LogP0.29
Rot. Bonds2

About 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one

4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one (PubChem CID 64679886) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one
PubChem CID64679886
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2nc(Cl)c3cnn(C)c3n2)CC1=O
InChIInChI=1S/C12H15ClN6O/c1-17-3-4-19(7-10(17)20)6-9-15-11(13)8-5-14-18(2)12(8)16-9/h5H,3-4,6-7H2,1-2H3
InChIKeyGNVQWPBCLHTHLO-UHFFFAOYSA-N
XLogP0.29
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine
CID 63220594
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine
CID 63220595
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63220432
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine
CID 63220281
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 79927344
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine
CID 63220328
8-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763435
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-1,4-oxazepane
CID 63220480
4-chloro-1-methyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[5,4-d]pyrimidine
CID 63220436
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one
CID 63220626
ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one
CID 145364325
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 63221411

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one (CID 64679886) is 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one is CN1CCN(Cc2nc(Cl)c3cnn(C)c3n2)CC1=O.
What is the InChIKey of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one?
The InChIKey is GNVQWPBCLHTHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-17-3-4-19(7-10(17)20)6-9-15-11(13)8-5-14-18(2)12(8)16-9/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one?
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one has a molecular weight of 294.75 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64679886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).