1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine

C18H28N6 — CID 56916156

IUPAC1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCC(C)c1nc(N2CC(N3CCCCC3C)C2)c2cnn(C)c2n1
InChIInChI=1S/C18H28N6/c1-12(2)16-20-17-15(9-19-22(17)4)18(21-16)23-10-14(11-23)24-8-6-5-7-13(24)3/h9,12-14H,5-8,10-11H2,1-4H3
InChIKeyQZSDZZGDYGCNGE-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.55
Rot. Bonds3

About 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine

1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 56916156) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
PubChem CID56916156
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCC(C)c1nc(N2CC(N3CCCCC3C)C2)c2cnn(C)c2n1
InChIInChI=1S/C18H28N6/c1-12(2)16-20-17-15(9-19-22(17)4)18(21-16)23-10-14(11-23)24-8-6-5-7-13(24)3/h9,12-14H,5-8,10-11H2,1-4H3
InChIKeyQZSDZZGDYGCNGE-UHFFFAOYSA-N
XLogP2.55
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

2-undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11289252
2-decyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11380352
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670
2-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074
1-Cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
CID 71223407
4-(3,3-Dimethylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
CID 71225643
4-Piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
CID 71225871
4-(4,4-difluoropiperidin-1-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 71226340
1-Methyl-4-(4-methylpiperazinyl)pyrazolo[5,4-d]pyrimidine
CID 2808976
1-(4-Piperidinylmethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 56835766
2-Heptyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine
CID 11253284
1-methyl-6-(4-methylpiperazin-1-yl)-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 29136870

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine (CID 56916156) is 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine is CC(C)c1nc(N2CC(N3CCCCC3C)C2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is QZSDZZGDYGCNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-12(2)16-20-17-15(9-19-22(17)4)18(21-16)23-10-14(11-23)24-8-6-5-7-13(24)3/h9,12-14H,5-8,10-11H2,1-4H3.
What are the key properties of 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine?
1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 328.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-propan-2-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56916156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).