N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine

C16H22N8O — CID 95599863

IUPACN,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(CN2CCC[C@H](N(C)c3ncnc4c3cnn4C)C2)no1
InChIInChI=1S/C16H22N8O/c1-11-20-14(21-25-11)9-24-6-4-5-12(8-24)22(2)15-13-7-19-23(3)16(13)18-10-17-15/h7,10,12H,4-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyLBLRQLQMINENLO-LBPRGKRZSA-N
MW342.41 g/mol
LogP1.16
Rot. Bonds4

About N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 95599863) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID95599863
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC NameN,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(CN2CCC[C@H](N(C)c3ncnc4c3cnn4C)C2)no1
InChIInChI=1S/C16H22N8O/c1-11-20-14(21-25-11)9-24-6-4-5-12(8-24)22(2)15-13-7-19-23(3)16(13)18-10-17-15/h7,10,12H,4-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyLBLRQLQMINENLO-LBPRGKRZSA-N
XLogP1.16
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-cycloheptyl-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 47159325
2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 95599853
(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 97074219
N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 102637671
(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine
CID 95610360
azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
CID 95316835
5-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313243
3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide
CID 154747968
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56802392
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328197
3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 86808870

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 95599863) is N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nc(CN2CCC[C@H](N(C)c3ncnc4c3cnn4C)C2)no1.
What is the InChIKey of N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LBLRQLQMINENLO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N8O/c1-11-20-14(21-25-11)9-24-6-4-5-12(8-24)22(2)15-13-7-19-23(3)16(13)18-10-17-15/h7,10,12H,4-6,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 342.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95599863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).