methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate

C19H21FN6O2 — CID 26027381

IUPACmethyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate
SMILESCOC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C19H21FN6O2/c1-24-17-15(11-23-24)18(22-12-21-17)26-9-7-25(8-10-26)16(19(27)28-2)13-3-5-14(20)6-4-13/h3-6,11-12,16H,7-10H2,1-2H3/t16-/m1/s1
InChIKeyZDYBWMBLGSZDDS-MRXNPFEDSA-N
MW384.42 g/mol
LogP1.54
Rot. Bonds4

About methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate

methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate (PubChem CID 26027381) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate
PubChem CID26027381
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Namemethyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate
SMILESCOC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C19H21FN6O2/c1-24-17-15(11-23-24)18(22-12-21-17)26-9-7-25(8-10-26)16(19(27)28-2)13-3-5-14(20)6-4-13/h3-6,11-12,16H,7-10H2,1-2H3/t16-/m1/s1
InChIKeyZDYBWMBLGSZDDS-MRXNPFEDSA-N
XLogP1.54
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 16618393
N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 24624070
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 119840120
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
methyl 2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetate
CID 86879116
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 42936789
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 16618370
N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 16608602

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate?
The IUPAC name of methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate (CID 26027381) is methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate?
The canonical SMILES for methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate is COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate?
The InChIKey is ZDYBWMBLGSZDDS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-24-17-15(11-23-24)18(22-12-21-17)26-9-7-25(8-10-26)16(19(27)28-2)13-3-5-14(20)6-4-13/h3-6,11-12,16H,7-10H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate?
methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate has a molecular weight of 384.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 26027381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).