ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate

C18H26N6O3 — CID 8548589

IUPACethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2nc(N3CCOCC3)c3cnn(C)c3n2)C1
InChIInChI=1S/C18H26N6O3/c1-3-27-17(25)13-5-4-6-24(12-13)18-20-15-14(11-19-22(15)2)16(21-18)23-7-9-26-10-8-23/h11,13H,3-10,12H2,1-2H3/t13-/m1/s1
InChIKeyVAFIUFWBOJLLDA-CYBMUJFWSA-N
MW374.45 g/mol
LogP0.98
Rot. Bonds4

About ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate

ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate (PubChem CID 8548589) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate
PubChem CID8548589
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Nameethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2nc(N3CCOCC3)c3cnn(C)c3n2)C1
InChIInChI=1S/C18H26N6O3/c1-3-27-17(25)13-5-4-6-24(12-13)18-20-15-14(11-19-22(15)2)16(21-18)23-7-9-26-10-8-23/h11,13H,3-10,12H2,1-2H3/t13-/m1/s1
InChIKeyVAFIUFWBOJLLDA-CYBMUJFWSA-N
XLogP0.98
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 56897120
ethyl (3S)-1-[4-(benzylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperidine-3-carboxylate
CID 8547425
ethyl (3R)-1-[4-(benzylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperidine-3-carboxylate
CID 8547414
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513
4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 53039070
ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 51904879
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352
ethyl (3R)-1-(4,5-dichloropyrimidin-2-yl)piperidine-3-carboxylate
CID 135137910
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743
ethyl 1-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 53038525
ethyl 1-[1-(2-chlorophenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 42671372
[2-(3-ethoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
CID 142400989

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate (CID 8548589) is ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(c2nc(N3CCOCC3)c3cnn(C)c3n2)C1.
What is the InChIKey of ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate?
The InChIKey is VAFIUFWBOJLLDA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-3-27-17(25)13-5-4-6-24(12-13)18-20-15-14(11-19-22(15)2)16(21-18)23-7-9-26-10-8-23/h11,13H,3-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate?
ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate has a molecular weight of 374.45 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate is sourced from PubChem (CID 8548589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).