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

C17H24N8 — CID 154741257

IUPACN-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)c1ncnc2[nH]ncc12
InChIInChI=1S/C17H24N8/c1-23-6-4-5-12(15(23)14-8-18-11-25(14)3)9-24(2)17-13-7-21-22-16(13)19-10-20-17/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,19,20,21,22)/t12-,15+/m0/s1
InChIKeyOQVRHIBUZZCEFZ-SWLSCSKDSA-N
MW340.44 g/mol
LogP1.61
Rot. Bonds4

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

N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 154741257) has the molecular formula C17H24N8 and a molecular weight of 340.44 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID154741257
Molecular FormulaC17H24N8
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC NameN-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)c1ncnc2[nH]ncc12
InChIInChI=1S/C17H24N8/c1-23-6-4-5-12(15(23)14-8-18-11-25(14)3)9-24(2)17-13-7-21-22-16(13)19-10-20-17/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,19,20,21,22)/t12-,15+/m0/s1
InChIKeyOQVRHIBUZZCEFZ-SWLSCSKDSA-N
XLogP1.61
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 154741257) is N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)c1ncnc2[nH]ncc12.
What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OQVRHIBUZZCEFZ-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H24N8/c1-23-6-4-5-12(15(23)14-8-18-11-25(14)3)9-24(2)17-13-7-21-22-16(13)19-10-20-17/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,19,20,21,22)/t12-,15+/m0/s1.
What are the key properties of N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 340.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154741257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).