1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C14H18N8 — CID 141186691

IUPAC1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2C1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C14H18N8/c15-13-12-6-20-22(14(12)19-9-18-13)11-1-3-21(4-2-11)7-10-5-16-8-17-10/h5-6,8-9,11H,1-4,7H2,(H,16,17)(H2,15,18,19)
InChIKeyWGLAMZZGQCPJGB-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.97
Rot. Bonds3

About 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 141186691) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID141186691
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2C1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C14H18N8/c15-13-12-6-20-22(14(12)19-9-18-13)11-1-3-21(4-2-11)7-10-5-16-8-17-10/h5-6,8-9,11H,1-4,7H2,(H,16,17)(H2,15,18,19)
InChIKeyWGLAMZZGQCPJGB-UHFFFAOYSA-N
XLogP0.97
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141103907
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CID 141059458
[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
CID 175935264
1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 142657511
1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
CID 69118261
(3R,4R)-4-(6-aminopurin-9-yl)-1-(1H-imidazol-5-ylmethyl)-3-methylpiperidin-3-ol
CID 110146323
2-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 11555530
4-(fluoromethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 154760047
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
CID 169323707
N-[4-[4-amino-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 20817309
1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 174338495

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 141186691) is 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2C1CCN(Cc2cnc[nH]2)CC1.
What is the InChIKey of 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WGLAMZZGQCPJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c15-13-12-6-20-22(14(12)19-9-18-13)11-1-3-21(4-2-11)7-10-5-16-8-17-10/h5-6,8-9,11H,1-4,7H2,(H,16,17)(H2,15,18,19).
What are the key properties of 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 298.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141186691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).