1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C16H25N7 — CID 141059458

IUPAC1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCC(N2CCC(n3ncc4c(N)ncnc43)CC2)CC1
InChIInChI=1S/C16H25N7/c1-21-6-2-12(3-7-21)22-8-4-13(5-9-22)23-16-14(10-20-23)15(17)18-11-19-16/h10-13H,2-9H2,1H3,(H2,17,18,19)
InChIKeyHKNZOAGXBDMMNQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.14
Rot. Bonds2

About 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 141059458) has the molecular formula C16H25N7 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID141059458
Molecular FormulaC16H25N7
Molecular Weight315.42 g/mol
Exact Mass315.22
IUPAC Name1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCC(N2CCC(n3ncc4c(N)ncnc43)CC2)CC1
InChIInChI=1S/C16H25N7/c1-21-6-2-12(3-7-21)22-8-4-13(5-9-22)23-16-14(10-20-23)15(17)18-11-19-16/h10-13H,2-9H2,1H3,(H2,17,18,19)
InChIKeyHKNZOAGXBDMMNQ-UHFFFAOYSA-N
XLogP1.14
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 142657511
[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
CID 175935264
1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141103907
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
CID 169323707
1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141186691
ethane;3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 156857327
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 46741392
(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 10584870
3-(4-amino-3-methoxyphenyl)-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 22346975
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470
1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175893683
(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol
CID 10243872

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 141059458) is 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is CN1CCC(N2CCC(n3ncc4c(N)ncnc43)CC2)CC1.
What is the InChIKey of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HKNZOAGXBDMMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-21-6-2-12(3-7-21)22-8-4-13(5-9-22)23-16-14(10-20-23)15(17)18-11-19-16/h10-13H,2-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141059458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).