[4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate

C17H23ClN6O3 — CID 174604410

IUPAC[4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate
SMILESCC(=O)ON1CCC(n2ncc3c(N4CCOC(C)C4)nc(Cl)nc32)CC1
InChIInChI=1S/C17H23ClN6O3/c1-11-10-22(7-8-26-11)15-14-9-19-24(16(14)21-17(18)20-15)13-3-5-23(6-4-13)27-12(2)25/h9,11,13H,3-8,10H2,1-2H3
InChIKeyGRZTVNCCSOBSNH-UHFFFAOYSA-N
MW394.86 g/mol
LogP1.82
Rot. Bonds3

About [4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate

[4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate (PubChem CID 174604410) has the molecular formula C17H23ClN6O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is [4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate.

Molecular Properties

Compound Name[4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate
PubChem CID174604410
Molecular FormulaC17H23ClN6O3
Molecular Weight394.86 g/mol
Exact Mass394.15
IUPAC Name[4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate
SMILESCC(=O)ON1CCC(n2ncc3c(N4CCOC(C)C4)nc(Cl)nc32)CC1
InChIInChI=1S/C17H23ClN6O3/c1-11-10-22(7-8-26-11)15-14-9-19-24(16(14)21-17(18)20-15)13-3-5-23(6-4-13)27-12(2)25/h9,11,13H,3-8,10H2,1-2H3
InChIKeyGRZTVNCCSOBSNH-UHFFFAOYSA-N
XLogP1.82
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 4-[6-chloro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 86761504
methyl 4-[4-(2-methylmorpholin-4-yl)-6-[4-(pyridin-2-ylcarbamoylamino)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 68865108
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430
[4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174644915
methyl N-[4-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate
CID 91608568
methyl N-[4-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate
CID 91519991
N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402563
1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone
CID 103721776
5-amino-6-(2-methylmorpholin-4-yl)pyridine-2-carboxamide
CID 114404954
4-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-1,4-oxazepane
CID 79072899
4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide
CID 154330418
[(2S,4R,5R)-5-[4-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-6-chloropyrazolo[5,4-d]pyrimidin-1-yl]-4-acetyloxy-3-methylideneoxolan-2-yl]methyl benzoate
CID 167190910

Frequently Asked Questions

What is the IUPAC name of [4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate?
The IUPAC name of [4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate (CID 174604410) is [4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate.
What is the SMILES notation for [4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate?
The canonical SMILES for [4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate is CC(=O)ON1CCC(n2ncc3c(N4CCOC(C)C4)nc(Cl)nc32)CC1.
What is the InChIKey of [4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate?
The InChIKey is GRZTVNCCSOBSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O3/c1-11-10-22(7-8-26-11)15-14-9-19-24(16(14)21-17(18)20-15)13-3-5-23(6-4-13)27-12(2)25/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of [4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate?
[4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate has a molecular weight of 394.86 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate is sourced from PubChem (CID 174604410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).