5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole

C18H25N7O2 — CID 56913645

IUPAC5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOCc1nc(N2CCCC(c3nc(C(C)C)no3)C2)c2cnn(C)c2n1
InChIInChI=1S/C18H25N7O2/c1-11(2)15-22-18(27-23-15)12-6-5-7-25(9-12)17-13-8-19-24(3)16(13)20-14(21-17)10-26-4/h8,11-12H,5-7,9-10H2,1-4H3
InChIKeyRRRQMFNQKNBTKA-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.40
Rot. Bonds5

About 5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 56913645) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID56913645
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOCc1nc(N2CCCC(c3nc(C(C)C)no3)C2)c2cnn(C)c2n1
InChIInChI=1S/C18H25N7O2/c1-11(2)15-22-18(27-23-15)12-6-5-7-25(9-12)17-13-8-19-24(3)16(13)20-14(21-17)10-26-4/h8,11-12H,5-7,9-10H2,1-4H3
InChIKeyRRRQMFNQKNBTKA-UHFFFAOYSA-N
XLogP2.40
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 72923021
(2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 97195566
3-{[3-(3-Isobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]carbonyl}-6-methylpyrazolo[1,5-a]pyrimidine
CID 50958277
6-(methoxymethyl)-1-methyl-4-[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidine
CID 56895088
ethyl 1-(1-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-piperidinecarboxylate
CID 56897120
4-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidine
CID 70777010
ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate
CID 8548589
ethyl (3S)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate
CID 8548597
[1-(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 17465998
[(3R)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 25984616
[(3S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 25984617
3-[4-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 53542740

Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 56913645) is 5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole is COCc1nc(N2CCCC(c3nc(C(C)C)no3)C2)c2cnn(C)c2n1.
What is the InChIKey of 5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is RRRQMFNQKNBTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-11(2)15-22-18(27-23-15)12-6-5-7-25(9-12)17-13-8-19-24(3)16(13)20-14(21-17)10-26-4/h8,11-12H,5-7,9-10H2,1-4H3.
What are the key properties of 5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 371.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56913645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).