ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate

C21H26N6O2 — CID 993519

IUPACethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)nc3c2cnn3CCc2ccccc2)CC1
InChIInChI=1S/C21H26N6O2/c1-3-29-21(28)26-13-11-25(12-14-26)19-18-15-22-27(20(18)24-16(2)23-19)10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3
InChIKeyIPLUAGSYMOAOCH-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.66
Rot. Bonds5

About ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 993519) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID993519
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Nameethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)nc3c2cnn3CCc2ccccc2)CC1
InChIInChI=1S/C21H26N6O2/c1-3-29-21(28)26-13-11-25(12-14-26)19-18-15-22-27(20(18)24-16(2)23-19)10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3
InChIKeyIPLUAGSYMOAOCH-UHFFFAOYSA-N
XLogP2.66
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 42671817
3-amino-1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953895
1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 42675631
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 86949782
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-ethoxybutan-1-one
CID 56805694
ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate
CID 134098616
ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 104526987
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 86949788
cyclopentyl-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42671820
ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 91965227
[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 86949776
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate (CID 993519) is ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)nc3c2cnn3CCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is IPLUAGSYMOAOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-3-29-21(28)26-13-11-25(12-14-26)19-18-15-22-27(20(18)24-16(2)23-19)10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3.
What are the key properties of ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate?
ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 394.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-methyl-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 993519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).