5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

C21H29N7O — CID 166623725

IUPAC5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCC(C3CCN(Cc4cnn5cccnc45)CC3)CC2)no1
InChIInChI=1S/C21H29N7O/c1-16-24-20(25-29-16)15-27-11-5-18(6-12-27)17-3-9-26(10-4-17)14-19-13-23-28-8-2-7-22-21(19)28/h2,7-8,13,17-18H,3-6,9-12,14-15H2,1H3
InChIKeySYEBDUNVGWECGV-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.54
Rot. Bonds5

About 5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 166623725) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID166623725
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCC(C3CCN(Cc4cnn5cccnc45)CC3)CC2)no1
InChIInChI=1S/C21H29N7O/c1-16-24-20(25-29-16)15-27-11-5-18(6-12-27)17-3-9-26(10-4-17)14-19-13-23-28-8-2-7-22-21(19)28/h2,7-8,13,17-18H,3-6,9-12,14-15H2,1H3
InChIKeySYEBDUNVGWECGV-UHFFFAOYSA-N
XLogP2.54
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

formic acid;5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 171321762
N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 155975492
5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328197
(6S)-1-(oxan-4-yl)-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,4-diazepan-6-ol
CID 99992885
3-[[4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 50966965
(4S)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 129336107
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 103656955
5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893851
(2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 98765727
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
CID 154906451
N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 83873099

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 166623725) is 5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CCC(C3CCN(Cc4cnn5cccnc45)CC3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is SYEBDUNVGWECGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-16-24-20(25-29-16)15-27-11-5-18(6-12-27)17-3-9-26(10-4-17)14-19-13-23-28-8-2-7-22-21(19)28/h2,7-8,13,17-18H,3-6,9-12,14-15H2,1H3.
What are the key properties of 5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 395.51 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166623725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).